SCHEMBL8775977

SCHEMBL8775977

CC1=CC(C(=O)O)(C(=O)O)C=CC1(C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 2/20 0.32
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MITF O75030 2/20 0.31
P2RX7 Q99572 1/20 0.31
SLC6A4 P31645 1/20 0.31
MAPK1 P28482 1/20 0.30
CCR2 P41597 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL5710610 0.73 LMNA (0.35) MEN1KMT2ANPSR1CYP1A2HTT
SCHEMBL8082541 0.69
SCHEMBL21835402 0.67 AKR1C1 (0.35) AKR1C1HTTPOLB
SCHEMBL30632004 0.65 HCAR3 (0.30) CYP1A2HCAR3HCAR2
SCHEMBL29131171 0.61
SCHEMBL11048158 0.61 SLC6A4 (0.44) AKR1C1MEN1KMT2ANPSR1CYP1A2
SCHEMBL2350335 0.60 LMNA (0.42) MEN1KMT2AHTTPOLBMMP2
SCHEMBL28890126 0.60 AKR1C1 (0.46) AKR1C1KMT2AHTTOPRM1OPRL1
SCHEMBL10776105 0.59
SCHEMBL6680771 0.58 AKR1C1 (0.37) AKR1C1MEN1KMT2ANPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807138-A1 COPOLYETHERESTER DSM N.V. (NL) 1997-11-19 EP disclosed
WO-1996023830-A1 COPOLYETHERESTER DSM N.V. (NL) 1996-08-08 WO disclosed