SCHEMBL9081302

SCHEMBL9081302

C1CC(CC(CC2CC2)C2CCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.31

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
SCHEMBL3635972 0.95 EPHX1 (0.39) EPHX1ALDH1A1SHBGTP53
SCHEMBL2999144 0.92 EPHX1 (0.40) EPHX1ALDH1A1SHBGTP53
SCHEMBL19404066 0.92 EPHX1 (0.40) EPHX1ALDH1A1SHBGTP53
SCHEMBL8027763 0.81 SHBG (0.30) SHBG
SCHEMBL23331653 0.80 ALDH1A1 (0.44) EPHX1ALDH1A1TP53
SCHEMBL7621603 0.80 SHBG (0.41) SHBG
SCHEMBL10999166 0.78 ALDH1A1 (0.38) EPHX1ALDH1A1SHBGTP53
SCHEMBL16191183 0.78 SHBG (0.50) EPHX1ALDH1A1SHBGTP53
SCHEMBL8816076 0.78 EPHX1 (0.34) EPHX1ALDH1A1SHBGTP53
SCHEMBL10999554 0.75 ALDH1A1 (0.36) EPHX1ALDH1A1SHBGTP53

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
WO-1996035680-A1 SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES WITH ARYLOXY OR ARYLTHIO SUBSTITUENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-11-14 WO claimed