SCHEMBL9494683

SCHEMBL9494683

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
USP2 O75604 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
CASP1 P29466 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
RARB P10826 5/20 0.50
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
PTPN11 Q06124 1/20 0.46
PLA2G4A P47712 1/20 0.45
S1PR1 P21453 2/20 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
SCHEMBL9494070 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9493011 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10533751 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9493235 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9495347 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9493809 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9563698 0.99 CYP3A4 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9497102 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9497822 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9493596 0.99 MEN1 (0.58) MEN1USP2ALDH1A1KMT2ASMN1; SMN2

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