SCHEMBL3683207

SCHEMBL3683207

CCOC(=O)C1(C(=O)O)CCCCCCCCC1.CCOC(=O)C1(C(=O)O)CCCCCCCCC1.O=C(O)C1(C(=O)O)CCCCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 5/20 0.37
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 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
SCHEMBL670857 0.98 SMN1; SMN2 (0.41) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9806691 0.98 SMN1; SMN2 (0.41) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL10850510 0.98 SMN1; SMN2 (0.41) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7369559 0.96 SMN1; SMN2 (0.42) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1654017 0.92 SMN1; SMN2 (0.46) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL374081 0.88 OPRM1 (0.41) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9806689 0.88 SMN1; SMN2 (0.41) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL254353 0.88 SMN1; SMN2 (0.41) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL1152835 0.86 SMN1; SMN2 (0.42) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL16086664 0.83 TSHR (0.40) ALDH1A1SLC22A1KCNH2MEN1KMT2A

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
US-7781540-B2 Resin composition and molded articles thereof OSAKA GAS CO., LTD. (JP) 2010-08-24 US disclosed
EP-1808461-B1 RESIN COMPOSITION AND MOLDED OBJECT THEREOF TEIJIN CHEMICALS LTD (JP) 2009-03-11 EP disclosed
US-20080085955-A1 Resin Composition And Molded Articles Thereof OSAKA GAS CO., LTD. (JP) 2008-04-10 US disclosed
EP-1808461-A1 RESIN COMPOSITION AND MOLDED OBJECT THEREOF Teijin Chemicals, Ltd. (JP) 2007-07-18 EP disclosed