SCHEMBL9682755

SCHEMBL9682755

Cc1ccc2c(c1)C(=O)N(C1(C(N)=O)CCCCC1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.42
CA1 P00915 4/20 0.42
CA12 O43570 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CA2 P00918 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL10334223 0.93 ALDH1A1 (0.39) CA9CA1CA12ALDH1A1CA2
SCHEMBL10333899 0.93 CA12 (0.37) CA9CA1CA12ALDH1A1CA2
SCHEMBL9682128 0.83 ALDH1A1 (0.41) ALDH1A1KDM4ECASP1CASP7HSD17B10
SCHEMBL9845601 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHTTNPC1RAB9A
SCHEMBL11728360 0.81 ALDH1A1 (0.58) CA9CA12ALDH1A1KDM4EHTT
SCHEMBL9770940 0.77 ALDH1A1 (0.36) ALDH1A1KDM4ETSHR
SCHEMBL11728138 0.74 ALDH1A1 (0.38) ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL11731118 0.73 ESR1 (0.36) ALDH1A1KDM4ETSHRPOLB
SCHEMBL5933663 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1TSHRHSD17B10
SCHEMBL11729050 0.71 ALDH1A1 (0.43) CA9CA1ALDH1A1CA2KDM4E

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
EP-0312763-A1 Methods and compositions for protecting crop plants from undesirable effects of insecticidal compounds and herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP claimed
US-4017299-A Phthalimide derivatives as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1977-04-12 US claimed
US-5102447-A Applying 1-(3-chlorophthalimido)cyclohexanecarboxamide to the roots, seeds, leaves or soil surrounding crops to prevent phytotoxic effects of terbufos AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
US-4933166-A PHTHALIMIDE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1990-06-12 US disclosed
EP-0312762-A1 Method of safening fungicidal compositions thereof AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed
EP-0312763-A1 Methods and compositions for protecting crop plants from undesirable effects of insecticidal compounds and herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed