SCHEMBL9800825

SCHEMBL9800825

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.43
NAAA Q02083 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 1/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL10415568 0.85 RARB (0.41) FFAR4ALDH1A1HPGDTHRB
SCHEMBL9800824 0.85 FFAR4 (0.51) FFAR4RAB9AALDH1A1KMT2AL3MBTL1
SCHEMBL9800817 0.83 RARB (0.45) ALDH1A1KMT2ATHRB
SCHEMBL9800831 0.83 KDM1A (0.47) KMT2A
SCHEMBL9800787 0.79 RARB (0.40) FFAR4NPC1RAB9AALDH1A1HPGD
SCHEMBL9800804 0.78 CTRC (0.44) NPC1RAB9AALDH1A1KMT2A
SCHEMBL9800791 0.78 FFAR4 (0.49) FFAR4
SCHEMBL7949370 0.78 F2 (0.58) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL7949367 0.78 F2 (0.58) NPC1RAB9AALDH1A1HPGDHTT
SCHEMBL9800808 0.76 TSHR (0.45) THRB

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