SCHEMBL7107418

SCHEMBL7107418

CC1=Cc2c(cccc2C(C)C)[C]1CCCC[C]1C(C)=Cc2c1cccc2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 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
SCHEMBL7598196 0.93 GABRA1 (0.37) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL7595974 0.71 HTR7 (0.33) CA1CA2CYP1A2TSHRCA9
SCHEMBL7105368 0.67 CNR1 (0.33) LMNACYP1A2CYP3A4HPGDTSHR
SCHEMBL7107423 0.62 GABRA1 (0.34) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL31415932 0.62 GABRA1 (0.50) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL617021 0.62 GABRA1 (0.40) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL28302057 0.60 GABRA1 (0.65) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL19289745 0.60 GABRA1 (0.47) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL198912 0.60 GABRA1 (0.52) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL1025203 0.60 GABRA1 (0.41) GABRA1GABRG2GABRB3CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed