SCHEMBL9548114

SCHEMBL9548114

OCc1cccc(-c2ccccc2)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.60
▸ CD274 Q9NZQ7 1/20 0.60
▸ DPP4 P27487 1/20 0.47
▸ NR4A2 P43354 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDK2 Q15119 2/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SUCNR1 Q9BXA5 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ PTGER1 P34995 1/20 0.39

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
SCHEMBL30790364 1.00 PDCD1 (0.60) PDCD1CD274DPP4NR4A2KMT2A
SCHEMBL19923153 0.87 PDCD1 (0.47) PDCD1CD274DPP4NR4A2PDK2
SCHEMBL13824010 0.86 NR4A2 (0.48) PDCD1CD274NR4A2PDK2PTPN5
SCHEMBL18621557 0.85 PDCD1 (0.44) PDCD1CD274NR4A2LMNAPDK2
SCHEMBL23078658 0.83 HSD17B1 (0.44) PDCD1CD274NR4A2
SCHEMBL30609912 0.82 NR4A2 (0.43) PDCD1CD274NR4A2PDK2PTPN5
SCHEMBL13726819 0.82 NR4A2 (0.43) PDCD1CD274NR4A2PDK2PTPN5
SCHEMBL28210679 0.82 MKNK1 (0.49) PDCD1CD274NR4A2ALDH1A1PDK2
SCHEMBL10981274 0.82 DPP4 (0.45) PDCD1CD274DPP4KMT2AFOLH1
SCHEMBL11571880 0.81 SUCNR1 (0.53) PDCD1CD274KMT2AFOLH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194293-A — — None — — JP disclosed
WO-2021043116-A1 BIPHENYL COMPOUNDS, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国药科大学 2021-03-11 — — WO disclosed
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
WO-2012150221-A2 NOVEL HALOGENATED BENZYL ALCOHOL ESTERS OF CYCLOPROPANE CARBOXYLIC ACID AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2012-11-08 — — WO disclosed
WO-2012150208-A1 USE OF SUBSTITUTED BENZYL ALCOHOL ESTERS OF CYCLOPROPANECARBOXYLIC ACID FOR CONTROLLING INSECTICIDE-RESISTANT INSECTS BAYER CROPSCIENCE AG (DE) 2012-11-08 — — WO disclosed
JP-H05194293-A PREPARATION OF TERTIARY TRI-AND TETRAFLUOROPHENYLBENZYL ALCOHOLS MERCK PATENT GMBH 1993-08-03 — — JP disclosed
Send feedback