SCHEMBL3747538

SCHEMBL3747538

C=Cc1ccc(CCC2=CC3CCC2C3)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CTSC P53634 1/20 0.30

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
SCHEMBL8505218 0.78 CYP19A1 (0.33)
SCHEMBL7938429 0.74
SCHEMBL1647493 0.72 ALDH1A1 (0.65) ALDH1A1
SCHEMBL50012 0.72 ALDH1A1 (0.65) ALDH1A1
SCHEMBL1978763 0.70 CYP19A1 (0.31)
SCHEMBL18549964 0.70 CYP19A1 (0.31)
SCHEMBL7932467 0.70 USP2 (0.33) ALDH1A1
SCHEMBL7195260 0.70
SCHEMBL28256455 0.69 TDP1 (0.35) ALDH1A1
Water SCHEMBL11190313 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420704-B2 Nano-structured polymer composites and process for preparing same REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2013-04-16 US disclosed
US-20100292077-A1 NANO-STRUCTURED POLYMER COMPOSITES AND PROCESS FOR PREPARING SAME ENERGY, UNITED STATE DEPARTMENT OF 2010-11-18 US disclosed