SCHEMBL10452906

SCHEMBL10452906

CCCCOc1ccc2oc3cc(C(N)=O)ccc3c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 2/20 0.54
▸ ACSL6 Q9UKU0 2/20 0.54
▸ XDH P47989 3/20 0.50
▸ LTB4R Q15722 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PTGER1 P34995 1/20 0.49
▸ PTGER3 P43115 1/20 0.49
▸ PTGER2 P43116 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PTGDR Q13258 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAOB P27338 9/20 0.46
▸ HRH3 Q9Y5N1 9/20 0.46
▸ TTR P02766 1/20 0.45
▸ NPC1 O15118 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
SCHEMBL10453885 0.95 ACSL1 (0.51) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL10454060 0.91 PARP10 (0.51) ACSL1ACSL6LTB4RKDM4EALDH1A1
SCHEMBL10452831 0.90 ACSL1 (0.49) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL10454274 0.89 TP53 (0.62) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL10454184 0.89 ACSL1 (0.50) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL10454142 0.88 ACSL1 (0.48) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL11862585 0.85 TP53 (0.69) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL10454065 0.85 KMT2A (0.62) ACSL1ACSL6XDHLTB4RKDM4E
SCHEMBL10452771 0.84 KDM4E (0.66) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL10453903 0.84 KMT2A (0.61) ACSL1ACSL6XDHLTB4RKDM4E

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
US-4902701-A Tetrazolyl substituted tricyclic compounds and pharmacological compositions thereof BURROUGHS WELCOME CO. (US) 1990-02-20 — — US disclosed
EP-0093381-B1 TRICYCLIC COMPOUNDS, PREPARATION, USE AND INTERMEDIATES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 — — EP disclosed
EP-0093381-A1 Tricyclic compounds, preparation, use and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1983-11-09 — — EP disclosed
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