SCHEMBL9865221

SCHEMBL9865221

CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.53
CTSV O60911 4/20 0.51
CTSL P07711 4/20 0.51
LRRK2 Q5S007 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.48
PTGER1 P34995 1/20 0.48
GAA P10253 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FABP4 P15090 1/20 0.47
C5AR1 P21730 1/20 0.46

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
SCHEMBL20400859 0.91 NPC1 (0.51) FOLH1CTSVCTSLMEN1KMT2A
SCHEMBL9865773 0.90 MEN1 (0.47) CTSVCTSLLRRK2MEN1KMT2A
SCHEMBL10152859 0.86 ALDH1A1 (0.57) CTSVCTSLMEN1KMT2AKDM4E
SCHEMBL24073948 0.85 TDP1 (0.46) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL9866032 0.85 CA1 (0.50) FOLH1CTSVCTSLLRRK2NPC1
SCHEMBL9335648 0.83 LRRK2 (0.46) LRRK2MEN1KMT2AKDM4ECYP2C9
SCHEMBL20418351 0.83 RAB9A (0.48) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL29447700 0.83 RAB9A (0.48) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL7396740 0.82 MGLL (0.52) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL28526676 0.82 FAAH (0.48) MEN1KMT2AKDM4EPOLBCYP2C9

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-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed