SCHEMBL28785604

SCHEMBL28785604

CC(C)c1cc(C(=O)O)n(Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
NOTUM Q6P988 2/20 0.44
CCR2 P41597 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
MCL1 Q07820 1/20 0.42
BRD4 O60885 3/20 0.41
LMNA P02545 1/20 0.40
GPR35 Q9HC97 1/20 0.40
IDH1 O75874 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MIF P14174 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40

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
SCHEMBL27776162 0.87 CA12 (0.41) CCR2
SCHEMBL27776172 0.86 CYP2D6 (0.44) BRD4LMNAALDH1A1TSHR
SCHEMBL27776345 0.84 CCR9 (0.44) MAPTCCR2ALDH1A1
SCHEMBL27776338 0.84 CCR2 (0.43) CCR2LMNA
SCHEMBL27776179 0.83 PTGER4 (0.48) MAPTLMNAGAAALDH1A1
SCHEMBL27776171 0.82 CCR2 (0.50) MAPTCCR2LMNAALDH1A1
SCHEMBL27776347 0.82 CCR2 (0.41) CCR2
SCHEMBL27776196 0.82 P2RX7 (0.43) CCR2
SCHEMBL2661840 0.81 NOTUM (0.43) NOTUMCCR2CCNCCDK8GRN
SCHEMBL27796921 0.80 GRN (0.38) GRNSORT1

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-101679365-A As the new pyrrole-2-carboxamides derivatives of glucokinase activators, their manufacture method and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE L 2010-03-24 CN claimed
CN-101679365-A As the new pyrrole-2-carboxamides derivatives of glucokinase activators, their manufacture method and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE L 2010-03-24 CN disclosed