SCHEMBL9876100

SCHEMBL9876100

CCCCCCCCc1ccc(Cc2ccc3ccc(C(C)C)ccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.44
HTR2A P28223 2/20 0.43
RARB P10826 7/20 0.43
HSD17B10 Q99714 3/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL9875584 0.88 HTR2A (0.50) UCHL3HTR2ARARBHSD17B10TSHR
SCHEMBL9875530 0.85 TYR (0.40) UCHL3HTR2ARARBTSHRTP53
SCHEMBL9876250 0.85 TYR (0.40) UCHL3HTR2ARARBTSHRTP53
SCHEMBL9875982 0.84 PTPN11 (0.44) RARBALDH1A1LMNACYP3A4MEN1
SCHEMBL15313779 0.82 ESR1 (0.42) UCHL3HTR2ARARBHSD17B10TSHR
SCHEMBL16668623 0.82 HTR2A (0.59) UCHL3HTR2AHSD17B10TSHRALDH1A1
SCHEMBL17439642 0.82 HTR2A (0.59) UCHL3HTR2AHSD17B10TSHRALDH1A1
SCHEMBL4063423 0.82 HTR2A (0.59) UCHL3HTR2AHSD17B10TSHRALDH1A1
SCHEMBL8028842 0.82 HTR2A (0.59) UCHL3HTR2AHSD17B10TSHRALDH1A1
SCHEMBL9137110 0.82 HTR2A (0.59) UCHL3HTR2AHSD17B10TSHRALDH1A1

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