SCHEMBL18950806

SCHEMBL18950806

CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
CNR1 P21554 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ENPP2 Q13822 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40

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
SCHEMBL17546517 0.84 RAB9A (0.41) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL17171742 0.81 VCAM1 (0.50) SMN1; SMN2
SCHEMBL19103200 0.80 KMT2A (0.54) SMN1; SMN2CNR1
SCHEMBL9366018 0.79 GAA (0.55) LMNANPC1RAB9ASMN1; SMN2POLB
SCHEMBL10621247 0.79 GAA (0.55) LMNANPC1RAB9ASMN1; SMN2POLB
SCHEMBL17546519 0.79 CNR1 (0.57) LMNANPC1RAB9ASMN1; SMN2SOAT2
SCHEMBL17176950 0.79 CNR1 (0.57) LMNANPC1RAB9ASMN1; SMN2SOAT2
SCHEMBL17546516 0.78 VCAM1 (0.40)
SCHEMBL18950804 0.78 ALDH1A1 (0.45)
SCHEMBL17171708 0.76 DGKA (0.40) CNR1

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-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 US disclosed
US-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 US disclosed
EP-3178905-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME Adeka Corporation (JP) 2017-06-14 EP disclosed