SCHEMBL5846491

SCHEMBL5846491

Cc1cc(C)cc(CCC(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
CNR1 P21554 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TPMT P51580 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
TSHR P16473 1/20 0.37
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
IDH1 O75874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL28030638 0.82 KMT2A (0.46) FFAR1CNR1KMT2AFFAR4TPMT
SCHEMBL5824610 0.80 TAAR1 (0.53) FFAR1CNR1KMT2AFFAR4THRA
SCHEMBL5846204 0.80 FFAR1 (0.61) FFAR1FFAR4TPMTTHRATHRB
SCHEMBL9632300 0.80 ALDH1A1 (0.54) FFAR1CNR1KMT2AFFAR4TPMT
SCHEMBL27964907 0.78 CAPN1 (0.46) FFAR1CNR1KMT2AFFAR4TPMT
SCHEMBL1446802 0.78 FFAR1 (0.55) FFAR1CNR1THRATHRBSLC5A1
SCHEMBL2529212 0.77 TPMT (0.41) CNR1KMT2ATPMTPGK1PGK2
SCHEMBL27813979 0.76 NOS3 (0.38) CNR1TSHRALDH1A1TP53HDAC3
SCHEMBL25206896 0.76 CNR1 (0.42) CNR1KMT2ATPMTTHRATHRB
SCHEMBL9861207 0.75 KMT2A (0.49) FFAR1CNR1KMT2AFFAR4TSHR

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-7012138-B1 Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) 2006-03-14 US disclosed