SCHEMBL7813673

SCHEMBL7813673

CC(C)=C1C2C=CC1C(C(=O)O)C2C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.60
ALDH1A1 P00352 7/20 0.54
TSHR P16473 4/20 0.54
POLB P06746 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
APEX1 P27695 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CASP1 P29466 1/20 0.31
BRCA1 P38398 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
PKM P14618 1/20 0.30
EDNRA P25101 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
SCHEMBL726901 0.78 FPR2 (1.00) FPR2ALDH1A1TSHRPOLBMAPT
SCHEMBL12040476 0.78 FPR2 (0.80) FPR2ALDH1A1TSHRPOLBTDP1
SCHEMBL9540852 0.78 FPR2 (0.46) FPR2ALDH1A1TSHRPOLBTDP1
SCHEMBL726810 0.76 FPR2 (0.78) FPR2ALDH1A1TSHRPOLBMAPT
SCHEMBL7821368 0.68 ALDH1A1 (0.59) ALDH1A1POLBMEN1KMT2AEDNRA
SCHEMBL1924574 0.60 POLB (1.00) ALDH1A1TSHRPOLBTDP1CTDSP1
SCHEMBL2915103 0.59 POLB (0.42) ALDH1A1TSHRPOLBTDP1CTDSP1
SCHEMBL20511493 0.59 POLB (0.42) ALDH1A1TSHRPOLBTDP1CTDSP1
SCHEMBL106105 0.58 POLB (0.65) ALDH1A1TSHRPOLBTDP1CTDSP1
SCHEMBL7725100 0.58 POLB (0.50) ALDH1A1TSHRPOLBTDP1CTDSP1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed