SCHEMBL4566491

SCHEMBL4566491

C1COC1.O=C(O)c1ccc(C(=O)O)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FABP4 P15090 4/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 1/20 0.37
XDH P47989 1/20 0.37
RXRA P19793 3/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
FABP3 P05413 1/20 0.36
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
Tetrahydrofuran SCHEMBL6862263 0.92 CYP1A2 (0.44) CYP1A2GFERFABP4ALDH1A1ALOX15
SCHEMBL87519 0.91 CYP1A2 (0.57) CYP1A2GFERSMN1; SMN2FABP4ALDH1A1
Cyclohexane SCHEMBL1538047 0.89 CYP1A2 (0.55) CYP1A2GFERFABP4ALDH1A1ALOX15
SCHEMBL982478 0.89 CYP1A2 (0.55) CYP1A2GFERSMN1; SMN2FABP4ALDH1A1
SCHEMBL3107923 0.89 CYP1A2 (0.55) CYP1A2GFERFABP4ALDH1A1ALOX15
SCHEMBL250454 0.89 CYP1A2 (0.55) CYP1A2GFERFABP4ALDH1A1ALOX15
SCHEMBL2034342 0.89 CYP1A2 (0.55) CYP1A2GFERFABP4ALDH1A1ALOX15
SCHEMBL195800 0.89 CYP1A2 (0.55) CYP1A2GFERFABP4ALDH1A1ALOX15
SCHEMBL3091854 0.89 CYP1A2 (0.55) CYP1A2GFERFABP4ALDH1A1ALOX15
Terephthalic Acid SCHEMBL2839189 0.88 TSHR (0.44) CYP1A2ALDH1A1RXRARXRBRXRG

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-1877489-B1 THERMOPLASTIC ELASTOMER BLEND, METHOD OF MANUFACTURE AND USE THEREOF DU PONT (US) 2009-09-16 EP disclosed
US-7244790-B2 Thermoplastic elastomer blend, method of manufacture and use thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-17 US disclosed
US-20060247380-A1 Thermoplastic elastomer blend, method of manufacture and use thereof E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-02 US disclosed