SCHEMBL11577792

SCHEMBL11577792

CC1(C)COC(=O)c2ccccc2C(=O)OC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
GSK3B P49841 1/20 0.37
IDO1 P14902 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CDC25B P30305 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.36
GMNN O75496 1/20 0.36
TDP2 O95551 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL17504255 0.83 PSMB5 (0.36) MAOAMAOBALOX15PKMALDH1A1
SCHEMBL31297120 0.81 MAOA (0.41) MAOAMAOBALOX15TDP1PKM
SCHEMBL29054066 0.81 IDO1 (0.41) MAOAMAOBALOX15TDP1PKM
SCHEMBL17603299 0.80 TP53 (0.32) TDP1TSHRKDM4ECYP1A2MEN1
SCHEMBL249354 0.79 NPC1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25408550 0.77 MAOA (0.41) MAOAMAOBALOX15TDP1PKM
SCHEMBL10484520 0.74 PGR (0.36) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL3794975 0.73 ABCG2 (0.50) SMN1; SMN2LMNA
SCHEMBL8310579 0.72 PKM (0.44) MAOBTDP1PKMTSHRALDH1A1
SCHEMBL6322451 0.72 MAOA (0.37) MAOAMAOBALOX15TDP1PKM

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-4135009-A BENZOIC ACID TERMINATED OLIGOESTERS AS MELT FLOW MODIFIERS OF THERMOPLASTIC COATINGS AND POWDERS ROHM AND HAAS COMPANY (US) 1979-01-16 US disclosed