SCHEMBL17864197

SCHEMBL17864197

CCOP(OCOCOP(OCC)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSPA5 P11021 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL28615973 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL811535 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL29418925 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1159937 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL26698101 0.76 RXRA (0.34) CYP3A4CYP2C9CYP2C19
SCHEMBL30770685 0.74 RXRA (0.34) CYP3A4CYP2C9CYP2C19
SCHEMBL18121543 0.72 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1CA2POLBCYP2C19
SCHEMBL194310 0.72 RXRA (0.33) POLBCYP3A4CYP2C9CYP2C19
SCHEMBL29354551 0.72 RXRA (0.33) POLBCYP3A4CYP2C9CYP2C19
SCHEMBL11056754 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR

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
US-20170073544-A1 DISH SUPPORT RACK FOR DISHWASHER PERFORMANCE POLYAMIDES, SAS (FR) 2017-03-16 US disclosed
US-20160289448-A1 Polyamide composition RHODIA OPERATIONS (FR) 2016-10-06 US disclosed
US-20160177094-A1 Polyamide composition RHODIA OPERATIONS (FR) 2016-06-23 US disclosed