SCHEMBL9325675

SCHEMBL9325675

CCC(CC)c1cccc(C(CC)CC)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB2 P47870 4/20 0.54
LMNA P02545 4/20 0.54
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 4/20 0.54
TSHR P16473 3/20 0.54
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
PTGS1 P23219 2/20 0.54
SLC6A2 P23975 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
HPGD P15428 2/20 0.54
FAAH O00519 1/20 0.54
GABRB1 P18505 1/20 0.54
HTR2C P28335 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
HTR2B P41595 1/20 0.54
GABRA2 P47869 1/20 0.54

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
SCHEMBL4310619 0.91 GABRA1 (0.71) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL26907918 0.89 GABRA1 (0.50) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL9153685 0.89 GABRA1 (0.48) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL5589704 0.89 TSHR (0.52) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL19779854 0.85 GABRA1 (0.40) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL26908050 0.84 GABRA1 (0.45) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL26908064 0.83 TSHR (0.44) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL19779459 0.80 TSHR (0.39) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL26908040 0.80 LMNA (0.36) GABRA1GABRB2LMNACYP1A2CYP3A4
SCHEMBL4310559 0.79 GABRA1 (0.59) GABRA1GABRB2LMNACYP1A2CYP3A4

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
US-5326807-A Connector YAZAKI CORPORATION (JP) 1994-07-05 US disclosed