SCHEMBL4836730

SCHEMBL4836730

C=CCC.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP4B1 P13584 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP3A5 P20815 1/20 0.39
CYP2A7 P20853 1/20 0.39
CYP3A7 P24462 1/20 0.39
CYP2F1 P24903 1/20 0.39
CYP2C18 P33260 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4F8 P98187 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL29217281 0.86 CA12 (0.36) CYP3A4CYP2C9CYP1A2CYP2C19PTGS2
Biphenyl SCHEMBL8734478 0.81 ALDH1A1 (0.50) CYP3A4CYP1A2TP53TDP1
Propene SCHEMBL14799996 0.80
Propionaldehyde SCHEMBL7564236 0.79 ALDH1A1 (0.47) CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1
Allyl Alcohol SCHEMBL27523726 0.79 TSHR (0.47) CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1
Propane SCHEMBL27289276 0.77 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1
Propane SCHEMBL27948872 0.77 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1
Propane SCHEMBL27933229 0.77 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1
SCHEMBL8897251 0.77 HRH3 (0.36) CYP3A4ESR1GABRA1GABRB2TP53
Propionaldehyde SCHEMBL27740723 0.77 ALDH1A1 (0.45) CYP3A4CYP2C9CYP1A1CYP1A2CYP2E1

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-7348065-B2 Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2008-03-25 US disclosed
US-20050176908-A1 Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon SAN NOPCO LIMITED (JP) 2005-08-11 US disclosed