SCHEMBL9876111

SCHEMBL9876111

CCCCCc1ccc(-c2ccc3cc(C(C)C)cccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
RARB P10826 7/20 0.44
GPR3 P46089 1/20 0.43
HSD11B1 P28845 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TSHR P16473 1/20 0.40
UCHL3 P15374 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL9876443 0.99 HTR2A (0.47) HTR2ARARBGPR3HSD11B1HSD17B10
SCHEMBL9876249 0.99 HTR2A (0.47) HTR2ARARBGPR3HSD11B1HSD17B10
SCHEMBL9875623 0.96 UCHL3 (0.43) HTR2ARARBGPR3HSD11B1UCHL3
SCHEMBL9875584 0.83 HTR2A (0.50) HTR2ARARBHSD17B10TSHRUCHL3
SCHEMBL9875690 0.82 UCHL3 (0.40) HTR2ARARBHSD11B1TLR8TSHR
SCHEMBL9876048 0.81 MEN1 (0.40) GPR3TLR8TSHRMEN1MAPT
SCHEMBL9874563 0.81 MEN1 (0.40) GPR3TLR8TSHRMEN1MAPT
SCHEMBL9875860 0.81 MEN1 (0.40) GPR3TLR8TSHRMEN1MAPT
SCHEMBL9876010 0.81 MEN1 (0.40) GPR3TLR8TSHRMEN1MAPT
SCHEMBL9876409 0.81 MEN1 (0.40) GPR3TLR8TSHRMEN1MAPT

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed