SCHEMBL9825318

SCHEMBL9825318

CCCCc1ccc2cc3ccc(C(C)C)ccc-3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 2/20 0.44
PSMB5 P28074 1/20 0.36
SKP2 Q13309 1/20 0.36
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTRC Q99895 1/20 0.34
CASR P41180 1/20 0.34
RARB P10826 1/20 0.34
HTR1A P08908 1/20 0.34
MPL P40238 2/20 0.34
DHODH Q02127 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.96 UCHL3 (0.41) UCHL3RARBHTR1ATSHRGPR3
SCHEMBL9825864 0.95 UCHL3 (0.40) UCHL3RARBHTR1ATP53TSHR
SCHEMBL9825402 0.92 ALOX5 (0.39) UCHL3AKR1C2AKR1C3
SCHEMBL9825972 0.85 AKR1C3 (0.41) AKR1C2NPC1RAB9AHPGDMAPK1
SCHEMBL9825519 0.84 CTSS (0.38) UCHL3PSMB5SKP2NPC1RAB9A
SCHEMBL9826652 0.80 TLR8 (0.40) PSMB5GPR3
SCHEMBL9825219 0.79 GPR3 (0.41) HTR1ATP53GPR3
SCHEMBL9825625 0.79 GPR3 (0.41) HTR1ATP53GPR3
SCHEMBL9824789 0.79 RARB (0.44) NPC1RAB9ARARBHTR1ATP53
SCHEMBL3669327 0.77 UCHL3 (0.60) UCHL3AKR1C2AKR1C1HPGDRARB

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