SCHEMBL8127329

SCHEMBL8127329

CCOC(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
PIN1 Q13526 1/20 0.50
HIF1A Q16665 1/20 0.50
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 1/20 0.48
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 3/20 0.47

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
SCHEMBL28970082 0.86 CHRM2 (0.65) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL819510 0.85 CHRM2 (0.49) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL8130212 0.83 CHRM2 (0.45) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL8592701 0.83 SCN1A (0.67) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL2088138 0.83 CHRM2 (0.50) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL2995040 0.81 ALDH1A1 (0.57) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL28779829 0.81 PIN1 (0.49) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL27315973 0.80 PIN1 (0.47) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL28047418 0.80 SCN1A (0.56) CYP2C19CHRM2CHRM1CHRM3PIN1
SCHEMBL4640323 0.80 CHRM2 (0.48) CYP2C19CHRM2CHRM1CHRM3PIN1

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-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP disclosed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 WO disclosed
EP-0528172-A1 (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists J. URIACH & CIA. S.A. (ES) 1993-02-24 EP disclosed