SCHEMBL4060195

SCHEMBL4060195

N#Cc1ccc(COc2ccc(C=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.62
▸ RAB9A P51151 3/20 0.56
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50
▸ PSENEN Q9NZ42 1/20 0.50
▸ SPHK2 Q9NRA0 1/20 0.50
▸ SPHK1 Q9NYA1 1/20 0.50
▸ MAOA P21397 4/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMPD1 P17405 1/20 0.48
▸ AR P10275 1/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL8785132 1.00 MAOB (0.62) MAOBRAB9APSEN1PSEN2APH1B
SCHEMBL11614936 0.88 RAB9A (0.69) MAOBRAB9AMAOAALDH1A1SMN1; SMN2
SCHEMBL23223734 0.88 RAB9A (0.69) MAOBRAB9AMAOAALDH1A1SMN1; SMN2
SCHEMBL18664184 0.86 MAOB (0.81) MAOBRAB9AMAOAHRH3SMPD1
SCHEMBL29741480 0.86 MAOB (0.81) MAOBRAB9AMAOAHRH3SMPD1
SCHEMBL5994318 0.84 ALDH1A1 (0.54) MAOBRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15383165 0.83 MAOB (0.62) MAOBRAB9APSEN1PSEN2APH1B
SCHEMBL22238265 0.83 MAOB (0.62) MAOBRAB9APSEN1PSEN2APH1B
SCHEMBL9034561 0.83 MAOB (0.68) MAOBRAB9ASPHK2SPHK1MAOA
SCHEMBL9842136 0.82 MAOB (0.65) MAOBRAB9AMAOASMN1; SMN2SMPD1

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
CN-107151220-B Phenol compound containing benzyloxy phenyl, preparation method and application thereof 中国医学科学院药物研究所 2021-07-20 — — CN disclosed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO disclosed
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 — — WO disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 — — EP disclosed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 — — US disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 — — EP disclosed
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