SCHEMBL10453904

SCHEMBL10453904

CCCOc1ccc2oc3cc(C(=O)O)ccc3c(=O)c2c1.[Na]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ PTGER1 P34995 1/20 0.61
▸ PTGER3 P43115 1/20 0.61
▸ PTGER2 P43116 1/20 0.61
▸ PTGDR Q13258 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ TTR P02766 6/20 0.57
▸ ACSL1 P33121 2/20 0.57
▸ ACSL6 Q9UKU0 2/20 0.57
▸ LTB4R Q15722 3/20 0.53
▸ XDH P47989 2/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL10454065 0.99 KMT2A (0.62) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10453903 0.98 KMT2A (0.61) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11859295 0.94 KMT2A (0.69) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10454274 0.94 TP53 (0.62) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10452917 0.91 KDM4E (0.63) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL11862585 0.89 TP53 (0.69) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10453814 0.89 KDM4E (0.59) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10452818 0.89 KDM4E (0.65) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10454202 0.89 KMT2A (0.56) KMT2AKDM4EMEN1ALDH1A1TP53
SCHEMBL10453885 0.88 ACSL1 (0.51) KMT2AKDM4EMEN1ALDH1A1TP53

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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