SCHEMBL27985238

SCHEMBL27985238

CCc1c[nH]c(CC(Cc2ccccc2)OC=O)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.36
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
RAB9A P51151 1/20 0.32
EPHX1 P07099 1/20 0.31
CTSH P09668 1/20 0.31
CPA1 P15085 1/20 0.31
SRR Q9GZT4 1/20 0.30

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
SCHEMBL28814855 0.76 MMP2 (0.37) CTSKCTSLCTSBPPARGPPARA
SCHEMBL18085416 0.76 EPHX1 (0.48) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28061404 0.72 EPHX1 (0.35) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28113592 0.72 TSHR (0.42) CTSKMEN1KMT2ATAAR1EPHX1
SCHEMBL28074772 0.71 CTSK (0.36) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28045695 0.71 CTSK (0.34) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28045730 0.70 CTSK (0.37) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL28095278 0.70 CTSK (0.54) CTSKCTSLCTSBMEN1KMT2A
SCHEMBL4887410 0.70 TSHR (0.47) RAB9A
SCHEMBL4893200 0.67 HRH4 (0.45)

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
CN-104016925-B The synthetic method of 4-alkyl imidazole-2-carboxylic acid ZUNYI MEDICAL COLLEGE (CN) 2016-03-30 CN disclosed
CN-104016925-A Method for synthesizing 4-alkylimidazole-2-carboxylic acid I UNIV ZUNYI MEDICAL 2014-09-03 CN disclosed