SCHEMBL7960836

SCHEMBL7960836

c1ccc(C[C]2CCCCCC2Cc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HTR6 P50406 1/20 0.37
GBA1 P04062 1/20 0.37
CALM1 P0DP23 1/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23860295 1.00 HSD11B1 (0.44) HSD11B1DDB1CRBNPOLBESR1
SCHEMBL15743127 0.98 DDB1 (0.42) HSD11B1DDB1CRBNPOLBESR1
SCHEMBL15743125 0.93 DDB1 (0.44) HSD11B1DDB1CRBNPOLBNOS3
SCHEMBL225031 0.77 PTGS2 (0.56) HSD11B1DDB1CRBNPOLBHPGD
SCHEMBL7338783 0.77 PTGS2 (0.56) HSD11B1DDB1CRBNPOLBHPGD
SCHEMBL10906533 0.77 DDB1 (0.46) HSD11B1DDB1CRBNPOLBNOS3
SCHEMBL9012010 0.76 ALDH1A1 (0.40) HSD11B1POLBCALM1USP2HPGD
SCHEMBL29169546 0.75 PTGS2 (0.57) HSD11B1DDB1CRBNPOLBHPGD
SCHEMBL18550001 0.75 CALM1 (0.39) POLBCALM1
SCHEMBL9790769 0.75 PTGS2 (0.57) HSD11B1DDB1CRBNPOLBHPGD

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-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US claimed