SCHEMBL9825720

SCHEMBL9825720

CCCCCc1ccc2cc3ccc(C(C)C)ccc-3c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.41
GPR3 P46089 1/20 0.38
RARB P10826 6/20 0.37
HTR2A P28223 1/20 0.37
HSD11B1 P28845 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
CYP3A4 P08684 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9825864 0.99 UCHL3 (0.40) UCHL3GPR3RARBHTR2ATSHR
SCHEMBL9825318 0.96 UCHL3 (0.44) UCHL3GPR3RARBTSHRHTR1A
SCHEMBL9825402 0.90 ALOX5 (0.39) UCHL3
SCHEMBL9825972 0.84 AKR1C3 (0.41) TSHRHSD17B10PTGS2
SCHEMBL9826652 0.84 TLR8 (0.40) GPR3HTR2AHSD11B1TLR8
SCHEMBL9824789 0.83 RARB (0.44) GPR3RARBHTR2ATSHRHSD17B10
SCHEMBL9825219 0.83 GPR3 (0.41) GPR3HTR2ATLR8HSD17B10HTR1A
SCHEMBL9825625 0.83 GPR3 (0.41) GPR3HTR2ATLR8HSD17B10HTR1A
SCHEMBL9826442 0.80 GPR3 (0.48) GPR3HTR2AHSD11B1TLR8
SCHEMBL9825519 0.80 CTSS (0.38) UCHL3GPR3HTR2ATLR8

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