SCHEMBL9333671

SCHEMBL9333671

CCC#Cc1ccc(C#Cc2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL9335953 0.99 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9332680 0.99 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9333523 0.99 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10986599 0.99 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10986602 0.99 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10987493 0.97 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10987488 0.97 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10980764 0.97 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10980768 0.97 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9335763 0.96 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-0377516-B1 Liquid crystal compounds having high optical anisotropy CHISSO CORP (JP) 1994-05-04 EP disclosed
US-5154851-A LIQUID CRYSTAL COMPOUND HAVING LARGE OPTICAL ANISOTROPY VALUE CHISSO CORPORATION (JP) 1992-10-13 US disclosed