SCHEMBL7658464

SCHEMBL7658464

C1CCC[C](C[C]2CCCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL247765 1.00 ALDH1A1 (0.35) ALDH1A1TRIM24TRIM33TSHRCASP1
SCHEMBL7671023 0.96 TRIM24 (0.31) TRIM24TRIM33
SCHEMBL4749362 0.70
SCHEMBL258276 0.69
SCHEMBL372657 0.69
SCHEMBL10490386 0.69 CYP1A2 (0.33) ALDH1A1TRIM24TRIM33
SCHEMBL359789 0.69
SCHEMBL21114222 0.69 NOS3 (0.32) ALDH1A1TRIM24TRIM33
SCHEMBL3821733 0.69 ALDH1A1 (0.32) ALDH1A1TRIM24TRIM33
SCHEMBL1437720 0.69 NOS3 (0.32) ALDH1A1TRIM24TRIM33

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-6469165-B1 SUPPRESSES BY-PRODUCT FORMATION AND AVOIDS HYDROLYSIS OF THE INTERMEDIATE WHILE ACHIEVING A HIGH YIELD OF THE POLYAMINOTRIAZINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed