SCHEMBL7599568

SCHEMBL7599568

CCc1ccc2c(C(=O)O)c(CC)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
AKR1B1 P15121 1/20 0.39
SOX18 P35713 1/20 0.38

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
SCHEMBL8941197 0.84 CYP1A2 (0.46) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL2455631 0.83 ESR1 (0.44) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL4871685 0.83 NCEH1 (0.46) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL4873999 0.80 KAT8 (0.45) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL16874354 0.79 GABRA1 (0.46) AKR1C3AKR1C2ALDH1A1TSHRPOLB
SCHEMBL7597470 0.79 KAT8 (0.50) ALDH1A1
SCHEMBL7600186 0.78 KAT8 (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7597493 0.78 KAT8 (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7594958 0.78 KAT8 (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL897607 0.77 KDM4E (0.55) ALDH1A1MEN1KMT2ACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6031065-A Polyester copolymers from naphthalate and related esters WELLMAN, INC. (US) 2000-02-29 US claimed
EP-0933386-A2 Polyester copolymers from naphthalate and related esters Wellman Inc (US) 1999-08-04 EP claimed
EP-0698631-B1 Ester copolymer resin, alloy thereof and packaging material using the same NIPPON KOKAN KK (JP) 2002-12-04 EP disclosed
US-5804267-A A BLEND OF POLYCARBONATE AND POLYESTER COPOLYMER; PACKAGING CONTAINER NKK CORPORATION (JP) 1998-09-08 US disclosed
US-5750219-A Ester copolymer resin, alloy thereof and packaging material using the same NKK CORPORATION (JP) 1998-05-12 US disclosed
EP-0698631-A2 Ester copolymer resin, alloy thereof and packaging material using the same NKK CORPORATION (JP) 1996-02-28 EP disclosed