SCHEMBL11869834

SCHEMBL11869834

O=C(O)c1ccc2oc3cc(C(=O)C(F)(F)F)ccc3c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 11/20 0.65
▸ ALDH1A1 P00352 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ PTGER1 P34995 1/20 0.58
▸ PTGER3 P43115 1/20 0.58
▸ PTGER2 P43116 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PTGDR Q13258 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ AKR1B1 P15121 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ PLA2G2D Q9UNK4 1/20 0.44
▸ LTB4R Q15722 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL11322640 0.89 TTR (0.80) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL11867323 0.86 TTR (0.69) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL10623602 0.82 TTR (0.83) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL68189 0.82 TTR (0.83) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL11857659 0.82 NPC1 (0.71) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL4509568 0.82 TTR (0.70) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL11874006 0.81 KDM4E (0.65) TTRALDH1A1KDM4EMEN1TP53
Hydrochloric Acid SCHEMBL11749391 0.81 TTR (0.81) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL8949782 0.80 TTR (0.70) TTRALDH1A1KDM4EMEN1TP53
SCHEMBL10453744 0.80 TTR (0.72) TTRALDH1A1KDM4EMEN1TP53

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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