SCHEMBL9329773

SCHEMBL9329773

CC(C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
RXRA P19793 5/20 0.55
RXRB P28702 5/20 0.55
SRD5A2 P31213 2/20 0.50
RXRG P48443 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1H4 Q96RI1 2/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL1098811 0.93 TDP1 (0.54) TDP1RXRARXRBCDC25ACDC25B
SCHEMBL29393207 0.93 TDP1 (0.54) TDP1RXRARXRBCDC25ACDC25B
SCHEMBL29361914 0.91 TDP1 (0.56) TDP1RXRARXRBSRD5A2CDC25A
SCHEMBL105948 0.91 TDP1 (0.56) TDP1RXRARXRBSRD5A2CDC25A
SCHEMBL29441322 0.91 TDP1 (0.56) TDP1RXRARXRBSRD5A2CDC25A
SCHEMBL267196 0.89 TDP1 (0.54) TDP1RXRARXRBCDC25ACDC25B
SCHEMBL11023998 0.88 TDP1 (0.59) TDP1RXRARXRBSRD5A2CDC25A
SCHEMBL8579977 0.87 ALDH1A1 (0.52) TDP1RXRARXRBCDC25ACDC25B
SCHEMBL9789238 0.87 TDP1 (0.50) TDP1RXRARXRBRXRGHSD17B10
Bisphenol A SCHEMBL31517147 0.85 TDP1 (0.60) TDP1RXRARXRBSRD5A2CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359340-B1 Spirodilactam polymers SHELL INT RESEARCH (NL) 1994-03-16 EP disclosed
US-4927906-A Novel polyamideimide polymers SHELL OIL COMPANY (US) 1990-05-22 US disclosed
EP-0359340-A2 Spirodilactam polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-03-21 EP disclosed