SCHEMBL10508749

SCHEMBL10508749

C=CCc1c(O)ccc2[nH]c(C(=O)OCC)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ ALOX5 P09917 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ MMP13 P45452 4/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ GAA P10253 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ GLA P06280 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL10507289 0.84 KDM4E (0.52) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL8555908 0.83 MAPK1 (0.51) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL10506918 0.81 CDK1 (0.48) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL7471060 0.79 KDM4E (0.52) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4374748 0.78 KDM4E (0.55) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL10956634 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL22620609 0.75 KDM4E (0.51) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL913891 0.75 KDM4E (0.56) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL22620607 0.74 KDM4E (0.53) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4376277 0.74 KDM4E (0.50) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150966-B1 BENZOPYRAN DERIVATIVES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION FISONS plc (GB) 1989-07-12 — — EP disclosed
US-4698345-A Quinoline derivatives and their use as anti-asthmatic agents FISONS PLC (GB) 1987-10-06 — — US disclosed
EP-0150966-A2 Benzopyran derivatives, compositions containing them and processes for their preparation FISONS plc (GB) 1985-08-07 — — EP disclosed
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