SCHEMBL6436186

SCHEMBL6436186

COCC(O)(C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
CES1 P23141 1/20 0.40
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SRC P12931 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
CYP2C9 P11712 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7203718 0.76 ALDH1A1 (0.38) CYP2C19HIF1ACYP2D6ALDH1A1TSHR
SCHEMBL7201967 0.76 ALDH1A1 (0.38) CYP2C19HIF1ACYP2D6ALDH1A1TSHR
SCHEMBL7203715 0.76 ALDH1A1 (0.38) CYP2C19HIF1ACYP2D6ALDH1A1TSHR
SCHEMBL25477181 0.76 ALDH1A1 (0.52) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL6372899 0.74 KCNN4 (0.46) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL6372896 0.74 KCNN4 (0.46) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL6372894 0.74 KCNN4 (0.46) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL3363882 0.73 CES1 (0.44) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL17313147 0.73 CYP1A2 (0.46) KCNN4CES1CYP2C19HIF1ACYP1A2
SCHEMBL28405954 0.73 KCNN4 (0.44) KCNN4CES1CYP2C19HIF1AKMT2A

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
EP-1529056-A2 POST-CLEAVAGE SULFUR DEPROTECTION FOR CONVERGENT PROTEIN SYNTHESIS BY CHEMICAL LIGATION Geneprot, Inc. (CH) 2005-05-11 EP disclosed
WO-2003106615-A2 POST-CLEAVAGE SULFUR DEPROTECTION FOR CONVERGENT PROTEIN SYNTHESIS BY CHEMICAL LIGATION GENEPROT, INC. (CH) 2003-12-24 WO disclosed