SCHEMBL2488944

SCHEMBL2488944

CCCOC(=O)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CHRM2 P08172 5/20 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
SCHEMBL27690538 0.91 CYP3A4 (0.44) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL10334703 0.90 CYP3A4 (0.54) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL15310068 0.88 CYP3A4 (0.58) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL10334641 0.88 LMNA (0.43) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL10335024 0.88 MEN1 (0.53) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL341296 0.86 PIN1 (0.51) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL10334767 0.85 CYP3A4 (0.46) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL9292635 0.81 CYP3A4 (0.43) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL13481194 0.81 LMNA (0.45) LMNACYP3A4CYP2D6MEN1KMT2A
SCHEMBL13481195 0.81 LMNA (0.45) LMNACYP3A4CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US claimed
EP-2470504-B1 SYNTHESIS OF PROPIVERINE HYDROCHLORIDE ANDAGAR RAMAKRISHNA RAMESHA (IN) 2013-10-16 EP disclosed
EP-2470504-A1 SYNTHESIS OF PROPIVERINE HYDROCHLORIDE Andagar Ramakrishna, Ramesha (IN) 2012-07-04 EP disclosed
WO-2011114195-A1 SYNTHESIS OF PROPIVERINE HYDROCHLORIDE ANDAGAR RAMAKRISHNA RAMESHA (IN) 2011-09-22 WO disclosed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed