SCHEMBL6943690

SCHEMBL6943690

O=C(O)C1(C(=O)OCCCCOC(=O)C2(C(=O)O)CCCCC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.34
SIGMAR1 Q99720 7/20 0.33
APOBEC3A P31941 3/20 0.33
APOBEC3G Q9HC16 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL28174490 0.91 CYP4F2 (0.41) GAACYP2C19ALDH1A1MAPK1SIGMAR1
SCHEMBL16086087 0.91 NAAA (0.42) ALDH1A1MAPK1CYP3A4TSHRMEN1
SCHEMBL16599843 0.90 NAAA (0.44) TSHRMEN1KMT2ANPSR1
SCHEMBL2541015 0.90 NAAA (0.44) TSHRMEN1KMT2ANPSR1
SCHEMBL28334543 0.90 NAAA (0.44) TSHRMEN1KMT2ANPSR1
SCHEMBL25283821 0.90 NAAA (0.44) TSHRMEN1KMT2ANPSR1
SCHEMBL16086415 0.90 NAAA (0.44) TSHRMEN1KMT2ANPSR1
SCHEMBL18729772 0.90 NAAA (0.44) TSHRMEN1KMT2ANPSR1
SCHEMBL13738791 0.89 MEN1 (0.44) ALDH1A1MAPK1SIGMAR1CYP3A4CYP1A2
SCHEMBL16086254 0.89 NAAA (0.43) ALDH1A1MAPK1CYP3A4TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551685-B1 Poly(alkylene cyclohexane dicarboxylate)-(alkylene terephthalate)copolyesters and compositions thereof GEN ELECTRIC (US) 2003-04-16 EP disclosed
US-5410000-A Ductility GENERAL ELECTRIC COMPANY (US) 1995-04-25 US disclosed
US-5399661-A Poly(alkylene cyclohexanedicarboxylate)-(alkylene terephthalate) copolyesters GENERAL ELECTRIC COMPANY (US) 1995-03-21 US disclosed
EP-0551685-A1 Poly(alkylene cyclohexane dicarboxylate)-(alkylene terephthalate)copolyesters and compositions thereof GENERAL ELECTRIC COMPANY (US) 1993-07-21 EP disclosed