SCHEMBL8639636

SCHEMBL8639636

CC1=CCC(c2cc(F)cc(F)c2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
CHRNB2 P17787 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
CHRNB4 P30926 1/20 0.34
GABRA5 P31644 1/20 0.34
CHRNA3 P32297 1/20 0.34
GABRA3 P34903 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GABRA6 Q16445 1/20 0.34
TMEM97 Q5BJF2 1/20 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
SCHEMBL8635280 0.84 RET (0.32) RET
SCHEMBL8636685 0.77
SCHEMBL8634993 0.77 TRPV4 (0.37)
SCHEMBL8638350 0.76 RARA (0.30)
SCHEMBL8641398 0.75
SCHEMBL27388823 0.73 BRD4 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18855128 0.73
SCHEMBL8639514 0.72 TRPV1 (0.33)
SCHEMBL8643043 0.71 TRPV1 (0.33)
SCHEMBL14201547 0.70 RET (0.32) RET

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
EP-0571652-B1 Liquid crystalline substituted dihydrobenzene derivatives CITIZEN WATCH CO LTD (JP) 1998-08-05 EP disclosed
US-5342546-A Liquid crystal compositions L.C.C. CONSULTANTS CO., LTD. (JP) 1994-08-30 US disclosed
EP-0571652-A1 Liquid crystalline substituted dihydrobenzene derivatives L.C.C. CONSULTANTS CO., LTD. (JP) 1993-12-01 EP disclosed