SCHEMBL4753128

SCHEMBL4753128

COC1CCC(C(C)(C)C2CCC(OCC3CO3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 4/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL26498502 0.93 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL12957809 0.93 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL17083647 0.93 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL50372 0.93 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL12190040 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL16977288 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL22540509 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL15683202 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL17083532 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TP53
SCHEMBL8758845 0.87 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586814-B1 SELF-CROSSLINKABLE POLYHYDROXY POLYURETHANE RESIN, RESINACEOUS MATERIAL THAT CONTAINS THE RESIN, PROCESS FOR PRODUCTION OF THE RESIN, AND IMITATION LEATHER, SURFACING MATERIAL AND WEATHERSTRIP MATERIAL, USING THE RESIN DAINICHISEIKA COLOR CHEM (JP) 2016-01-20 EP disclosed
US-8673546-B2 Process for forming a hydrophilic coating and hydrophilic coating, and process for forming an ink jet recording head and ink jet recording head CANON KABUSHIKI KAISHA (JP) 2014-03-18 US disclosed
US-8673546-B2 Process for forming a hydrophilic coating and hydrophilic coating, and process for forming an ink jet recording head and ink jet recording head CANON KABUSHIKI KAISHA (JP) 2014-03-18 US disclosed
US-20120115985-A1 PROCESS FOR FORMING A HYDROPHILIC COATING AND HYDROPHILIC COATING, AND PROCESS FOR FORMING AN INK JET RECORDING HEAD AND INK JET RECORDING HEAD CANON KABUSHIKI KAISHA (JP) 2012-05-10 US disclosed
US-20120115985-A1 PROCESS FOR FORMING A HYDROPHILIC COATING AND HYDROPHILIC COATING, AND PROCESS FOR FORMING AN INK JET RECORDING HEAD AND INK JET RECORDING HEAD CANON KABUSHIKI KAISHA (JP) 2012-05-10 US disclosed
US-7705102-B2 Coverings for golf balls of a polysiloxaneurea copolymer based on a polysiloxane having an oxirane-terminated end group reacted with adiamine followed by a diisocyanate; controllable kinetics; homogeneity;shrinkage inhibition; chemical resistance; thermoplastic resins ACUSHNET COMPANY (US) 2010-04-27 US disclosed