SCHEMBL9876250

SCHEMBL9876250

CCCCCCCCCCCCCCCc1ccc2ccc(C(C)C)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX1 P07099 1/20 0.39
GCGR P47871 5/20 0.38
UCHL3 P15374 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
RARB P10826 2/20 0.37
HTR2A P28223 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 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
SCHEMBL9875530 1.00 TYR (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL8207444 0.86 PPARA (0.37) MEN1TP53ALOX5MAPTKMT2A
SCHEMBL9876100 0.85 UCHL3 (0.44) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL9875584 0.83 HTR2A (0.50) MEN1TP53CYP3A4MAPTTSHR
SCHEMBL9874563 0.81 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9875860 0.81 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876409 0.81 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876434 0.81 GCGR (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876048 0.81 MEN1 (0.40) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9876206 0.81 GCGR (0.39) TYRMEN1TP53CYP3A4ALOX5

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