SCHEMBL87339

SCHEMBL87339

CC(C)c1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP19A1 P11511 7/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PANK3 Q9H999 1/20 0.45
ERBB2 P04626 1/20 0.44
TSHR P16473 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12263202 0.93 MMP3 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL5827966 0.87 PARP15 (0.49) CYP2A6ALDH1A1CYP19A1CA2CA9
SCHEMBL22015460 0.87 CYP2A6 (0.42) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL15221634 0.87 ALDH1A1 (0.51) CYP2A6ALDH1A1CA2PANK3ERBB2
Acetic Acid SCHEMBL11525074 0.87 PANK3 (0.49) CYP2A6ALDH1A1CA2PANK3
SCHEMBL23742243 0.87 LOXL2 (0.53) CYP2A6ALDH1A1PANK3TSHRLOXL2
SCHEMBL20800817 0.85 CYP2A6 (0.40) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL12474856 0.85 ERBB2 (0.47) CYP2A6ALDH1A1CYP19A1ERBB2GRIA1
SCHEMBL13557870 0.84 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2
SCHEMBL7799578 0.84 CYP2A6 (0.52) CYP2A6ALDH1A1CYP19A1CA12CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1505 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240301331-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-09-12 US claimed
EP-4294906-A1 IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-12-27 EP claimed
US-20230399590-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SA, GIVAUDAN (CH) 2023-12-14 US claimed
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN claimed
CN-116867885-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2023-10-10 CN claimed
EP-4251723-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-10-04 EP claimed
CN-116507709-A Improvements in or relating to organic compounds 奇华顿股份有限公司 2023-07-28 CN claimed
WO-2023283974-A1 DEUTERATED AMMONIA PREPARATION METHOD AND DEUTERATION REACTION INVOLVING SAME AS DEUTERIUM SOURCE 苏州大学 2023-01-19 WO claimed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN claimed
WO-2022175314-A1 IMPROVEMENT IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-08-25 WO claimed
US-11364184-B2 Perfume compositions GIVAUDAN SA (CH) 2022-06-21 US claimed
WO-2022112202-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-06-02 WO claimed
CN-113526526-A Preparation method of deuterated ammonia and deuterated reaction taking deuterated ammonia as deuterium source to participate 苏州大学 2021-10-22 CN claimed
CN-1080953-A A kind of aqueous liquid bleach compositions with fluorescent whitening agent and polyvinyl pyrrolidone or polyvinyl alcohol PROCTER & GAMBLE (US) 1994-01-19 CN claimed
CN-1077985-A Aqueous or the gluey bleaching composition of amide-containing peroxyacid bleach and perfume compound PROCTER & GAMBLE (US) 1993-11-03 CN claimed
WO-1993021295-A1 LIQUID OR GEL BLEACHING COMPOSITION CONTAINING AMIDOPEROXYACID BLEACH AND PERFUME THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO claimed
WO-1993021296-A1 AQUEOUS LIQUID BLEACH COMPOSITIONS WITH FLUORESCENT WHITENING AGENT AND POLYVINYL PYRROLIDONE OR POLYVINYL ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 1993-10-28 WO claimed
US-5248434-A Stability THE PROCTOR & GAMBLE COMPANY (US) 1993-09-28 US claimed
US-5234617-A Cleaning, bleaching fabrics Hunter, Kathleen B. (US) 1993-08-10 US claimed
US-4101590-A COUNTERCURRENT EXTRACTION MARUZEN OIL CO., LTD. (JP) 1978-07-18 US claimed