SCHEMBL9864618

SCHEMBL9864618

CC(C)c1ccc(-c2cccc(C(=O)C(=O)c3ccccc3)c2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HNF4A P41235 1/20 0.40
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
DHODH Q02127 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
XBP1 P17861 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PTGS2 P35354 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
SCHEMBL3806469 0.85 HNF4A (0.53) MAPTLMNAMEN1KMT2AHNF4A
SCHEMBL9864612 0.80 MEN1 (0.50) MAPTLMNAUSP2MEN1KMT2A
SCHEMBL4741406 0.76 DHODH (0.56) MAPTLMNAUSP2MEN1KMT2A
SCHEMBL942728 0.75 HNF4A (0.67) MAPTLMNAUSP2MEN1KMT2A
SCHEMBL9879883 0.75 LTB4R2 (0.41) MAPTLMNAUSP2MEN1KMT2A
Hydrochloric Acid SCHEMBL5937171 0.74 DHODH (0.55) MAPTLMNAUSP2MEN1KMT2A
SCHEMBL11311180 0.72 CES2 (0.54) MAPTLMNAMEN1KMT2AHNF4A
Benzene SCHEMBL28343003 0.72 BCAT2 (0.55) MAPTMEN1KMT2AHNF4ACES2
Biphenyl SCHEMBL28340553 0.72 BCAT2 (0.55) MAPTMEN1KMT2AHNF4ACES2
SCHEMBL30277841 0.71 BCAT2 (0.59) MEN1KMT2AHNF4ACES2CES1

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
EP-0409437-A2 Process for preparing aromatic polycarboxylic acids KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-23 EP disclosed