SCHEMBL5074155

SCHEMBL5074155

COc1ccc(/C=C/c2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP3A4 P08684 2/20 0.56
NPC1 O15118 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.53
RELA Q04206 2/20 0.50
TRPA1 O75762 1/20 0.50
CYP1A1 P04798 3/20 0.49
CYP1B1 Q16678 3/20 0.49
ESR1 P03372 2/20 0.49
PTGS2 P35354 2/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49

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
SCHEMBL83758 1.00 CYP1A2 (0.56) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL4225000 0.81 MAPT (0.49) CYP1A2KDM4ECYP3A4NPC1CYP2C9
SCHEMBL11298301 0.81 MAPT (0.49) CYP1A2KDM4ECYP3A4NPC1CYP2C9
SCHEMBL14027388 0.77 RAB9A (0.45) CYP1A2KDM4ENPC1CYP2D6HPGD
SCHEMBL14027251 0.77 NPC1 (0.61) CYP1A2KDM4ECYP3A4NPC1CYP2C9
SCHEMBL83475 0.77 KMT2A (0.49) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL83476 0.77 KMT2A (0.49) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12632193 0.77 CYP1A2 (0.42) CYP1A2KDM4ENPC1HPGDRAB9A
SCHEMBL7500552 0.76 F3 (0.57) CYP1A2CYP3A4NPC1CYP2D6RAB9A
SCHEMBL7500553 0.76 F3 (0.57) CYP1A2CYP3A4NPC1CYP2D6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329715-B2 Abrasion resistant coatings by siloxane oligomers YAZAKI CORPORATION (JP) 2008-02-12 US disclosed
US-20060235178-A1 Abrasion resistant coatings by siloxane oligomers STOWE WOODWARD LLC 2006-10-19 US disclosed