SCHEMBL10965657

SCHEMBL10965657

CC(C)CCCCC(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
HTT P42858 3/20 0.44
CTNNB1 P35222 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HMGB1 P09429 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 1/20 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
SCHEMBL9054290 0.97 CYP19A1 (0.46) CYP19A1HTTCTNNB1ALDH1A1MEN1
SCHEMBL8672674 0.84 CYP19A1 (0.59) CYP19A1HTTALDH1A1MEN1MAPT
SCHEMBL8519711 0.84 CYP19A1 (0.59) CYP19A1HTTALDH1A1MEN1MAPT
SCHEMBL8670350 0.84 CYP19A1 (0.59) CYP19A1HTTALDH1A1MEN1MAPT
SCHEMBL1919197 0.81 HTT (0.65) CYP19A1HTTALDH1A1MEN1MAPT
SCHEMBL1697048 0.80 MEN1 (0.41) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL11579865 0.80 HTT (0.68) HTTALDH1A1MEN1MAPTKMT2A
SCHEMBL6696912 0.79 HTT (0.67) CYP19A1HTTALDH1A1MEN1MAPT
SCHEMBL6691190 0.79 HTT (0.67) CYP19A1HTTALDH1A1MEN1MAPT
SCHEMBL6690414 0.79 HTT (0.67) CYP19A1HTTALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057440-B1 AMINOPYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND FUNGICIDAL, INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-05-22 EP disclosed
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed