SCHEMBL6401221

SCHEMBL6401221

CCCCCn1cc(C)c(C(=O)O)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.40
CNR2 P34972 7/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TYR P14679 1/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
CNR1 P21554 3/20 0.37
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL25254402 0.83 HDAC1 (0.33)
SCHEMBL9263112 0.83 PLA2G2A (0.47) MEN1KMT2A
SCHEMBL9273783 0.83 PLA2G2A (0.47) MEN1KMT2A
SCHEMBL2973653 0.80 LDHA (0.37) MEN1KMT2AKDM4EPTGS1
SCHEMBL5518087 0.79 ALDH1A1 (0.43) KDM4EHSD17B10
SCHEMBL9955513 0.77 TP53 (0.36) CNR2GAAMEN1KMT2AKDM4E
SCHEMBL9269021 0.76 PLA2G2A (0.47) MEN1KMT2A
SCHEMBL9274404 0.73 PLA2G2A (0.49) MEN1KMT2A
SCHEMBL9956059 0.71 KMT2A (0.33) CYP1A2CYP2C19GAAMEN1CYP2C9
SCHEMBL9269950 0.71 PLA2G2A (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861418-B2 4-aryl substituted indolinones SUGEN, INC. (US) 2005-03-01 US disclosed