SCHEMBL10998322

SCHEMBL10998322

c1ccc(CCCCC2CCCc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
EPHX2 P34913 2/20 0.50
CYP19A1 P11511 1/20 0.48
TBXAS1 P24557 1/20 0.48

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
SCHEMBL4971572 0.89 CYP19A1 (0.51) SIGMAR1EPHX2CYP19A1TBXAS1
SCHEMBL30364914 0.81 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL7585235 0.81 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL6689910 0.81 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL80413 0.81 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL1760674 0.80 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL28812842 0.80 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL28544038 0.80 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL7086030 0.80 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL28543868 0.80 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444938-A Phenyltetralylbutane as vinyl plasticizer SUN TECH, INC. (US) 1984-04-24 US claimed
US-4521324-A Fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-06-04 US disclosed
US-4458047-A HEATING WITH ACID CATALYST SUN TECH, INC. (US) 1984-07-03 US disclosed
US-4444938-A Phenyltetralylbutane as vinyl plasticizer SUN TECH, INC. (US) 1984-04-24 US disclosed
US-4444938-A Phenyltetralylbutane as vinyl plasticizer SUN TECH, INC. (US) 1984-04-24 US disclosed
US-4444938-A Phenyltetralylbutane as vinyl plasticizer SUN TECH, INC. (US) 1984-04-24 US disclosed