SCHEMBL28314732

SCHEMBL28314732

CCC(Cc1ccccc1)(C(=O)O)C(=O)O.[BaH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PTPN1 P18031 3/20 0.45
PTPN2 P17706 1/20 0.45
PTPRA P18433 1/20 0.45
PTPRB P23467 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
RIPK1 Q13546 3/20 0.43
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
RECQL P46063 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MMP8 P22894 1/20 0.41
FDPS P14324 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL395522 0.98 SMN1; SMN2 (0.53) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL28314726 0.96 SMN1; SMN2 (0.52) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL21269319 0.96 SMN1; SMN2 (0.52) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL21269242 0.96 SMN1; SMN2 (0.52) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL28315779 0.96 SMN1; SMN2 (0.52) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL21269412 0.96 SMN1; SMN2 (0.52) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL28314708 0.94 SMN1; SMN2 (0.50) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL28315572 0.94 SMN1; SMN2 (0.50) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL28314643 0.94 SMN1; SMN2 (0.50) SMN1; SMN2HIF1APTPN1PTPN2PTPRA
SCHEMBL1716643 0.89 SMN1; SMN2 (0.48) SMN1; SMN2HIF1APTPN1PTPN2PTPRA

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-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN disclosed