SCHEMBL2774244

SCHEMBL2774244

CC(=O)Nc1oc(C(=O)O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NAPRT Q6XQN6 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2775104 0.79 ALDH1A1 (0.38) TSHRALDH1A1NAPRTHSD17B10KDM4E
SCHEMBL11657879 0.77 CYP1A2 (0.48) TSHRALDH1A1NAPRTHSD17B10KDM4E
SCHEMBL2774243 0.73 TSHR (0.76) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL10372156 0.73 ALOX15 (0.51) TSHRALDH1A1NAPRTHSD17B10KDM4E
SCHEMBL10371913 0.72 NPC1 (0.36) TSHRALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL7861729 0.72 MCL1 (0.49) ALDH1A1KDM4EKMT2AGPR35HTT
SCHEMBL10370969 0.69 ALOX15 (0.39) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL10381608 0.69 PTPN1 (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10371768 0.68 MAPT (0.43) TSHRALDH1A1NAPRTHSD17B10KDM4E
SCHEMBL15621056 0.68 KDM4E (0.51) TSHRALDH1A1NAPRTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 — — EP disclosed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 — — EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 — — US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 — — EP disclosed
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