SCHEMBL7611787

SCHEMBL7611787

CC(C)=C1Cc2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ MAOA P21397 3/20 0.59
▸ CES1 P23141 2/20 0.55
▸ BCHE P06276 1/20 0.55
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ACHE P22303 2/20 0.45
▸ MIF P14174 4/20 0.44
▸ MAOB P27338 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ RNASEH1 O60930 1/20 0.43
▸ TDP2 O95551 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 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
SCHEMBL23790313 0.85 ALDH1A1 (0.73) ALDH1A1MAOACES1BCHECYP1A2
SCHEMBL10876362 0.83 ALDH1A1 (0.70) ALDH1A1MAOACES1BCHECYP1A2
SCHEMBL28270361 0.82 ALDH1A1 (0.69) ALDH1A1MAOACES1BCHECYP1A2
SCHEMBL14274025 0.81 ALDH1A1 (0.68) ALDH1A1MAOACES1BCHECYP1A2
Anthrone SCHEMBL28593418 0.79 MAOA (0.86) ALDH1A1MAOACES1BCHECYP1A2
Anthrone SCHEMBL28186814 0.78 MAOA (0.75) ALDH1A1MAOACES1BCHECYP1A2
SCHEMBL4620995 0.76 ALDH1A1 (0.61) ALDH1A1MAOACES1BCHECYP1A2
SCHEMBL2319027 0.75 MAOA (0.90) ALDH1A1MAOACES1BCHECYP1A2
Anthrone SCHEMBL29357010 0.75 MAOA (1.00) ALDH1A1MAOACES1BCHECYP1A2
Anthrone SCHEMBL18143 0.75 MAOA (1.00) ALDH1A1MAOACES1BCHECYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391991-B1 USING COORDINATION POLYMERIZATION CATALYST BASELL TECHNOLOGY COMPANY BV (NL) 2002-05-21 — — US disclosed
EP-0834519-B1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN JAPAN POLYOLEFINS CO LTD (JP) 2002-03-06 — — EP disclosed
EP-0693506-B1 Process for the preparation of amorphous polymers of propylene BASELL TECHNOLOGY CO BV (NL) 2001-08-29 — — EP disclosed
US-6121182-A A METALLOCENE CATALYST FOR POLYMERIZATION OF ISOTACTIC POLYOLEFINS WITH HIGH RIGIDITY AND HIGH MELTING POINT, USEFUL AS INDUSTRIAL MATERIAL FOR AUTOMOBILES JAPAN POLYOLAFINS CO., LTD. (JP) 2000-09-19 — — US disclosed
EP-0834519-A1 CATALYST FOR POLYOLEFIN PRODUCTION AND PROCESS FOR PRODUCING POLYOLEFIN Japan Polyolefins Co., Ltd. (JP) 1998-04-08 — — EP disclosed
EP-0693506-A2 Process for the preparation of amorphous polymers of propylene SPHERILENE S.p.A. (IT) 1996-01-24 — — EP disclosed
US-4108667-A Photographic compositions and elements containing benzo[a]quinolizinium methine dyes EASTMAN KODAK COMPANY (US) 1978-08-22 — — US disclosed
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