SCHEMBL11862640

SCHEMBL11862640

O=C(O)c1ccc2oc3cc(OC=S)ccc3c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ CYP2C9 P11712 1/20 0.70
▸ PTGER1 P34995 1/20 0.70
▸ PTGER3 P43115 1/20 0.70
▸ PTGER2 P43116 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ PTGDR Q13258 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ TTR P02766 9/20 0.60
▸ AKR1B1 P15121 1/20 0.48
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MAOA P21397 2/20 0.44
▸ ACSL1 P33121 2/20 0.44
▸ ACSL6 Q9UKU0 2/20 0.44
▸ LTB4R Q15722 1/20 0.43

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
SCHEMBL11868704 0.90 KDM4E (0.61) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11865533 0.88 KDM4E (0.58) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11868372 0.86 KDM4E (0.59) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL9151805 0.84 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11322640 0.83 TTR (0.80) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL12930824 0.83 TTR (0.61) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL29627447 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL1163801 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11862647 0.81 KMT2A (0.68) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL11860605 0.81 KDM4E (0.72) ALDH1A1KDM4EHPGDMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3949084-A Novel substituted xanthone carboxylic acid compounds SYNTEX (U.S.A.) INC. (US) 1976-04-06 — — US disclosed
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