SCHEMBL9800824

SCHEMBL9800824

CCCc1ccc(-c2cc(F)ccc2OC(=O)C2CCC(C(=O)Oc3ccc(F)cc3-c3ccc(CCC)cc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.51
ABL1 P00519 2/20 0.40
MMEL1 Q495T6 1/20 0.38
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FFAR1 O14842 1/20 0.36
F10 P00742 1/20 0.36
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9800791 0.93 FFAR4 (0.49) FFAR4ABL1
SCHEMBL10415568 0.86 RARB (0.41) FFAR4ALDH1A1
SCHEMBL9800825 0.85 FFAR4 (0.43) FFAR4RAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL9800817 0.84 RARB (0.45) MEN1KMT2AALDH1A1
SCHEMBL9800831 0.84 KDM1A (0.47) ABL1MEN1KMT2AKDM1A
SCHEMBL9800787 0.80 RARB (0.40) FFAR4RAB9AALDH1A1
SCHEMBL9800804 0.79 CTRC (0.44) ABL1MEN1RAB9AKMT2AALDH1A1
SCHEMBL9800811 0.79 ALDH1A1 (0.37) FFAR4MEN1RAB9AKMT2AL3MBTL1
SCHEMBL9800808 0.77 TSHR (0.45) KDM1A
SCHEMBL9800840 0.77 NPC1 (0.36) FFAR4MEN1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249081-B1 TRANSHEXAHYDROTEREPHTALIC ACID ESTER DERIVATIVES Sato, Hisato (JP) 1991-03-13 EP disclosed
US-4946991-A Liquid ccrystals or their additives SATO HISATO (JP) 1990-08-07 US disclosed