SCHEMBL29033895

SCHEMBL29033895

OC(CI)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.50
PSAT1 Q9Y617 2/20 0.50
PPARG P37231 9/20 0.49
PPARA Q07869 7/20 0.49
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ACP3 P15309 1/20 0.46
FFAR1 O14842 1/20 0.46
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL29033893 1.00 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL26036727 0.87 TRPA1 (0.48) SRRPTGS1TAAR1ALDH1A1CYP1A2
SCHEMBL15517655 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL10187479 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL16945126 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL29033883 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL16945128 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL29033881 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL28633253 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2
SCHEMBL16945129 0.80 SRR (0.50) SRRPSAT1PPARGPPARAMMP2

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
CN-109206419-B Sakubi koji intermediate and preparation method and application thereof 上海迪赛诺化学制药有限公司 2023-07-14 CN disclosed