SCHEMBL11467447

SCHEMBL11467447

CSc1ccc2ccccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 1/20 0.54
▸ LDHA P00338 1/20 0.46
▸ SLC2A1 P11166 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL28572809 0.84 PTPN22 (0.50) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL29466047 0.83 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL30187599 0.83 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL2233625 0.83 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL2434774 0.83 PTPN22 (0.58) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL6754155 0.81 PTPN22 (0.56) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL11908113 0.80 CYP2A6 (0.50) PTPN22SLC2A1HSD17B10ALDH1A1CYP2A6
SCHEMBL6035055 0.79 PTPN22 (0.54) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL3198488 0.79 PTPN22 (0.54) PTPN22LDHAHSD17B10ALDH1A1CYP2A6
SCHEMBL13021634 0.77 TSHR (0.56) PTPN22SLC2A1HSD17B10ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1441637-A Compositions for repelling crawling insects BAYER AG (DE) 2003-09-10 — — CN disclosed
US-4194886-A Haloalkyl hydroxy-aromatic condensation products as fuel additives THE LUBRIZOL CORPORATION (US) 1980-03-25 — — US disclosed
US-4179449-A NITRILES, ACIDS OR SALTS, ESTERS, AMIDES, ANHYDRIDES CONDENSED WITH OLEFIN POLYMER MODIFIED WITH HALOALKYL PHENOL THE LUBRIZOL CORPORATION (US) 1979-12-18 — — US disclosed
US-4176077-A REACTION WITH A,B-OLEFINICALLY UNSATURATED NITRILE OR AMMONIUM OR METAL SALT OF A CARBOXYLIC ACID, FORMATION OF C-C BOND THE LUBRIZOL CORPORATION (US) 1979-11-27 — — US disclosed
US-4108783-A Haloalkyl hydroxy-aromatic condensation products as fuel and lubricant additives THE LUBRIZOL CORPORATION (US) 1978-08-22 — — US disclosed
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