SCHEMBL7912552

SCHEMBL7912552

CCC[C@H]1CC[C@H](C2CCC(CCc3ccc(-c4ccc(CCCCCF)cc4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RARB P10826 7/20 0.38
RARA P10276 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SPHK1 Q9NYA1 6/20 0.36
RARG P13631 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
SPHK2 Q9NRA0 2/20 0.34

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
SCHEMBL7912558 1.00 TSHR (0.38) TSHRHSD17B10RARBRARAMEN1
SCHEMBL7912555 1.00 TSHR (0.38) TSHRHSD17B10RARBRARAMEN1
SCHEMBL7915945 0.96 HSD17B10 (0.41) TSHRHSD17B10RARBRARAMEN1
SCHEMBL7902503 0.94 MAOB (0.38) TSHRHSD17B10RARBRARAMEN1
SCHEMBL7902510 0.94 MAOB (0.38) TSHRHSD17B10RARBRARAMEN1
SCHEMBL7902507 0.94 MAOB (0.38) TSHRHSD17B10RARBRARAMEN1
SCHEMBL7912748 0.94 MAOB (0.40) HSD17B10ALDH1A1HTR2AMAOAMAOB
SCHEMBL7912759 0.94 MAOB (0.40) HSD17B10ALDH1A1HTR2AMAOAMAOB
SCHEMBL7912754 0.94 MAOB (0.40) HSD17B10ALDH1A1HTR2AMAOAMAOB
SCHEMBL7912752 0.94 MAOB (0.40) HSD17B10ALDH1A1HTR2AMAOAMAOB

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
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed