SCHEMBL9807777

SCHEMBL9807777

CCCCCCCCCCOCCCCNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CA12 O43570 2/20 0.52
F13A1 P00488 2/20 0.52
CA2 P00918 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
THPO P40225 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
CASP2 P42575 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL9275699 1.00 TSHR (0.52) TSHRCA12F13A1CA2CYP1A2
SCHEMBL11311447 0.98 RELA (0.50) TSHRCA12F13A1CA2CYP1A2
SCHEMBL10948261 0.96 RELA (0.47) TSHRCA12F13A1CA2CYP1A2
SCHEMBL9277129 0.96 DNM1 (0.52) TSHRCA12F13A1CA2CYP1A2
SCHEMBL11082792 0.96 DNM1 (0.52) TSHRCA12F13A1CA2CYP1A2
SCHEMBL2305150 0.96 RELA (0.47) TSHRCA12F13A1CA2CYP1A2
SCHEMBL4733340 0.96 RELA (0.47) TSHRCA12F13A1CA2CYP1A2
SCHEMBL4330949 0.96 RELA (0.47) TSHRCA12F13A1CA2CYP1A2
SCHEMBL4159273 0.96 RELA (0.47) TSHRCA12F13A1CA2CYP1A2
SCHEMBL9272717 0.96 DNM1 (0.52) TSHRCA12F13A1CA2CYP1A2

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
EP-0323163-B1 SHIFT-FEEL DURABILITY ENHANCEMENT ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-05-29 EP disclosed
EP-0323163-A1 Shift-feel Durability enhancement ETHYL PETROLEUM ADDITIVES, INC. (US) 1989-07-05 EP disclosed
US-4795583-A FRICTION MODIFIER FOR AUTOMATIC TRANSMISSION FLUIDS CONTAINING AN ALIPHATIC TERTIARY AMINE, ALIPHATIC DIAMINE AND-OR N-SUBSTITUTED DIALKANOLAMINE ETHYL PETROLEUM ADDITIVES, INC. (US) 1989-01-03 US disclosed