SCHEMBL9825864

SCHEMBL9825864

CCCCCCc1ccc2cc3ccc(C(C)C)ccc-3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.40
GPR3 P46089 1/20 0.40
RARB P10826 6/20 0.39
HTR2A P28223 2/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
RARA P10276 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 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
SCHEMBL9825720 0.99 UCHL3 (0.41) UCHL3GPR3RARBHTR2AHSD17B10
SCHEMBL9825318 0.95 UCHL3 (0.44) UCHL3GPR3RARBTSHRHTR1A
SCHEMBL9825402 0.89 ALOX5 (0.39) UCHL3
SCHEMBL9824789 0.85 RARB (0.44) GPR3RARBHTR2AHSD17B10TSHR
SCHEMBL9825219 0.85 GPR3 (0.41) GPR3HTR2AHSD17B10HTR1AHTR1D
SCHEMBL9825625 0.85 GPR3 (0.41) GPR3HTR2AHSD17B10HTR1AHTR1D
SCHEMBL9825972 0.83 AKR1C3 (0.41) HSD17B10TSHRALDH1A1MEN1MAPT
SCHEMBL9826652 0.83 TLR8 (0.40) GPR3HTR2A
SCHEMBL9825790 0.81 GPR3 (0.50) GPR3HTR2A
SCHEMBL9825644 0.81 GPR3 (0.50) GPR3HTR2A

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-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-B1 SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1991-05-29 EP disclosed