SCHEMBL10452916

SCHEMBL10452916

CCOc1ccc2oc3cc(C(=O)O)ccc3c(=O)c2c1.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.63
▸ ALDH1A1 P00352 5/20 0.63
▸ HPGD P15428 5/20 0.63
▸ HSD17B10 Q99714 2/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ CYP2C9 P11712 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ PTGER1 P34995 1/20 0.63
▸ PTGER3 P43115 1/20 0.63
▸ PTGER2 P43116 1/20 0.63
▸ PTGDR Q13258 1/20 0.63
▸ TTR P02766 7/20 0.60
▸ ACSL1 P33121 2/20 0.53
▸ ACSL6 Q9UKU0 2/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ LTB4R Q15722 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL10452818 0.99 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10452917 0.98 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11860605 0.94 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10895137 0.92 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10453903 0.91 KMT2A (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10454274 0.89 TP53 (0.62) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10454065 0.89 KMT2A (0.62) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10453904 0.88 KMT2A (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10454060 0.88 PARP10 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10453735 0.87 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MEN1

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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