SCHEMBL5014485

SCHEMBL5014485

CCC(c1cccc(O)c1)C(CC)c1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.67
SLC22A1 O15245 1/20 0.67
LMNA P02545 4/20 0.56
ADRA1A P35348 3/20 0.56
CYP3A4 P08684 3/20 0.56
DRD1 P21728 2/20 0.56
DRD3 P35462 2/20 0.56
SLC6A3 Q01959 2/20 0.56
ESR1 P03372 2/20 0.56
CYP1A2 P05177 1/20 0.56
PGR P06401 1/20 0.56
CHRM2 P08172 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CHRM1 P11229 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
TBXA2R P21731 1/20 0.56

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
SCHEMBL5177521 1.00 OPRM1 (0.67) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL9918290 0.90 OPRM1 (0.66) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL9918287 0.90 OPRM1 (0.66) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL15471672 0.88 OPRM1 (0.73) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL16871402 0.88 OPRM1 (0.73) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL18427495 0.85 OPRM1 (0.56) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL15471651 0.84 OPRM1 (0.68) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL725882 0.84 OPRM1 (0.68) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL18371747 0.84 OPRM1 (0.59) OPRM1SLC22A1LMNAADRA1ACYP3A4
SCHEMBL19313152 0.84 OPRM1 (0.59) OPRM1SLC22A1LMNAADRA1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4094994-A ANTICANCER AGENTS, TUMOR INHIBITION, HORMONE-DEPENDENT CARCINOMAS KLINGE PHARMA GMBH (DT) 1978-06-13 US claimed
WO-2008002435-A1 VISCOELASTIC FOAMS WITH SLOWER RECOVERY AND IMPROVED TEAR BAYER MATERIALSCIENCE LLC (US) 2008-01-03 WO disclosed
EP-1873179-A1 Viscoelastic foams with slower recovery and improved tear Bayer MaterialScience LLC (US) 2008-01-02 EP disclosed
US-20070299153-A1 Viscoelastic foams with slower recovery and improved tear COVESTRO LLC 2007-12-27 US disclosed
US-4094994-A ANTICANCER AGENTS, TUMOR INHIBITION, HORMONE-DEPENDENT CARCINOMAS KLINGE PHARMA GMBH (DT) 1978-06-13 US disclosed