SCHEMBL9549797

SCHEMBL9549797

CN(C)CCOC(=O)C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
BCHE P06276 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9549624 0.91 KDM4E (0.47) CHRM1ALDH1A1KDM4ESMN1; SMN2CHRM2
Acetic Acid SCHEMBL9549765 0.84 RAD52 (0.50) CHRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL9549701 0.84 CYP3A4 (0.40) CHRM1ALDH1A1KDM4ESMN1; SMN2POLB
Acetic Acid SCHEMBL9549696 0.76 RAD52 (0.55) CHRM1ALDH1A1KDM4ESMN1; SMN2CHRM2
SCHEMBL11937431 0.76 CHRM1 (0.50) CHRM1ALDH1A1SMN1; SMN2LMNACHRM2
SCHEMBL10790182 0.75 CYP3A4 (0.60) CHRM1ALDH1A1SMN1; SMN2LMNACHRM2
SCHEMBL9549811 0.75 USP2 (0.44) CHRM1ALDH1A1KDM4ESMN1; SMN2LMNA
Acetic Acid SCHEMBL9549688 0.75 RAD52 (0.53) CHRM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7277555 0.74 CHRM1 (0.52) CHRM1ALDH1A1SMN1; SMN2
Ether SCHEMBL7532302 0.73 CHRM1 (0.48) CHRM1ALDH1A1KDM4ESMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208317-A Molding materials of cured epoxy resins THE DOW CHEMICAL COMPANY (US) 1993-05-04 US disclosed
US-5109099-A ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST THE DOW CHEMICAL COMPANY (US) 1992-04-28 US disclosed
EP-0441243-A2 Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions THE DOW CHEMICAL COMPANY (US) 1991-08-14 EP disclosed
US-4981926-A Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides THE DOW CHEMICAL COMPANY (US) 1991-01-01 US disclosed