SCHEMBL9495347

SCHEMBL9495347

CCCCCCCCc1ccc(-c2ccc(-c3ccc(OCCCCC)cc3)c(F)c2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
RARB P10826 5/20 0.52
PTPN11 Q06124 2/20 0.48
NR5A1 Q13285 1/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.45

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
SCHEMBL9493849 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9493596 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9493011 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9497822 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9493235 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9494070 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9493809 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9497102 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL10533751 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9495794 1.00 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4

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-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed