SCHEMBL10453885

SCHEMBL10453885

CCCOc1ccc2oc3cc(C(N)=O)ccc3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 2/20 0.51
▸ ACSL6 Q9UKU0 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HPGD P15428 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 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
▸ PTGDR Q13258 1/20 0.49
▸ LTB4R Q15722 1/20 0.48
▸ XDH P47989 2/20 0.47
▸ TTR P02766 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 2/20 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
SCHEMBL10452906 0.95 ACSL1 (0.54) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10454060 0.91 PARP10 (0.51) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10452831 0.90 ACSL1 (0.49) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10454065 0.89 KMT2A (0.62) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10453904 0.88 KMT2A (0.61) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10453903 0.88 KMT2A (0.61) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10454142 0.88 ACSL1 (0.48) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10453901 0.87 LTB4R (0.61) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL10454184 0.87 ACSL1 (0.50) ACSL1ACSL6ALDH1A1KDM4EHPGD
SCHEMBL11859295 0.85 KMT2A (0.69) ACSL1ACSL6ALDH1A1KDM4EHPGD

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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