SCHEMBL7902591

SCHEMBL7902591

CCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCF)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
RARB P10826 8/20 0.43
CHRNA7 P36544 2/20 0.42
CHRNA10 Q9GZZ6 2/20 0.42
CHRNA9 Q9UGM1 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 2/20 0.41
HTR2A P28223 1/20 0.41
RARA P10276 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.38
RARG P13631 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
SCHEMBL9552708 0.89 MAOB (0.48) TAAR1RARBCHRNA7CHRNA10CHRNA9
SCHEMBL7513802 0.82 RARB (0.60) TAAR1RARBTSHRHSD17B10HTR2A
SCHEMBL9553153 0.81 MAOB (0.46) TAAR1RARBTSHRHSD17B10MAOB
SCHEMBL11562537 0.80 RARB (0.61) RARBTSHRHSD17B10HTR2ARARA
SCHEMBL13825153 0.79 HTR2A (0.50) TAAR1HSD17B10HTR2AALDH1A1EGFR
SCHEMBL10157930 0.79 TAAR1 (0.64) TAAR1TSHRHTR2AALDH1A1L3MBTL1
SCHEMBL21322036 0.78 ESR1 (0.54) TAAR1HSD17B10ALDH1A1KMT2AL3MBTL1
SCHEMBL10575050 0.78 TAAR1 (0.62) TAAR1HSD17B10MAOBHTR2AALDH1A1
SCHEMBL2776957 0.78 TP53 (0.56) TAAR1TSHRALDH1A1HRH3L3MBTL1
SCHEMBL1702558 0.78 TP53 (0.56) TAAR1TSHRALDH1A1HRH3L3MBTL1

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