SCHEMBL9506180

SCHEMBL9506180

CCCCCCCCCCOc1ccc(COc2ncc(-c3ccc(OCCCCCC(C)CC)cc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.42
RARB P10826 4/20 0.41
SLC2A1 P11166 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9506169 1.00 NR5A1 (0.42) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9506293 0.92 RARB (0.46) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9508441 0.92 RARB (0.46) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9508435 0.92 RARB (0.46) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9506287 0.92 RARB (0.46) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9510122 0.88 RARB (0.44) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9506167 0.85 NR5A1 (0.50) NR5A1RARBCYP3A4CYP2D6KDM4E
SCHEMBL9752262 0.84 RARB (0.55) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL10427318 0.83 NPC1 (0.56) NR5A1RARBSLC2A1CYP3A4CYP2D6
SCHEMBL9508494 0.82 RARB (0.44) NR5A1RARBSLC2A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295370-B1 LIQUID-CRYSTALLINE 5-PHENYL PYRIMIDINE DERIVATIVES WITH AN SC OR SC (ASTERISK) PHASE, AND METHOD FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP claimed
EP-0295370-A1 Liquid-crystalline 5-phenyl pyrimidine derivatives with an Sc or Sc (asterisk) phase, and method for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-21 EP claimed
EP-0284008-B1 Use of derivatives of 5-phenyl pyrimidine as components of smectic liquid-crystalline mixtures HOECHST AG (DE) 1993-10-27 EP disclosed
EP-0295370-B1 LIQUID-CRYSTALLINE 5-PHENYL PYRIMIDINE DERIVATIVES WITH AN SC OR SC (ASTERISK) PHASE, AND METHOD FOR PREPARING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-11 EP disclosed
US-4906752-A Liquid-crystal 5-phenylpyrimidine derivatives having sc or sc* phases and a process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
US-4906401-A Use of liquid-crystal 5-phenylpyrimidine derivatives as components of smectic liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
EP-0295370-A1 Liquid-crystalline 5-phenyl pyrimidine derivatives with an Sc or Sc (asterisk) phase, and method for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1988-12-21 EP disclosed