SCHEMBL7002579

SCHEMBL7002579

CCOc1cccc(CO[C]=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
SOD1 P00441 1/20 0.46
DHFR P00374 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 2/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL7003292 0.87 KMT2A (0.49) CYP3A4SMN1; SMN2SOD1DHFRKDM4E
SCHEMBL6994868 0.86 PLA2G4B (0.48) DHFRTHRBTSHR
SCHEMBL6998877 0.84 GGPS1 (0.53) DHFRTSHR
SCHEMBL5538042 0.83 BCHE (0.57) SMN1; SMN2MAOBBCHEFFAR1TSHR
SCHEMBL7003378 0.83 GGPS1 (0.55) DHFRTSHR
SCHEMBL1828436 0.83 IDO1 (0.61) CHRM2CHRM1CHRM3MRGPRX4MAOB
SCHEMBL5536450 0.80 FFAR1 (0.58) NPC1RAB9AMAOBBCHEFFAR1
SCHEMBL56662 0.79 CYP3A4 (0.50) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL11964290 0.79 TP53 (0.53) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL208838 0.79 NQO1 (0.54) SMN1; SMN2NPC1LMNARAB9AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed