SCHEMBL9505951

SCHEMBL9505951

CCN(CCO)CC1CO1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL15840497 0.88 CYP1A2 (0.38) CYP1A2CYP2D6ALDH1A1
SCHEMBL6755882 0.87 CYP1A2 (0.33) CYP1A2CYP2D6ALDH1A1
SCHEMBL175525 0.87 CYP1A2 (0.33) CYP1A2CYP2D6ALDH1A1
SCHEMBL11321917 0.87 ALDH1A1 (0.34) CYP1A2CYP2D6ALDH1A1
Phosphine SCHEMBL28040618 0.85 CYP1A2 (0.33) CYP1A2CYP2D6ALDH1A1
SCHEMBL3040299 0.82
SCHEMBL11317474 0.82 ALDH1A1 (0.37) MAPK1ALDH1A1
SCHEMBL11317466 0.82 ALDH1A1 (0.37) MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL28225853 0.81 ALDH1A1 (0.35) CYP1A2CYP2D6ALDH1A1
SCHEMBL11577580 0.77 ALDH1A1 (0.35) ALDH1A1

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-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP claimed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US claimed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP claimed
EP-0426987-B1 RAPIDLY IMMOBILIZING PAPER COATING COMPOSITIONS National Starch and Chemical Investment Holding Corporation (US) 1993-07-14 EP disclosed
US-5093159-A Cationic Starch, Pigment, Base NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1992-03-03 US disclosed
EP-0426987-A1 Rapidly immobilizing paper coating compositions National Starch and Chemical Investment Holding Corporation (US) 1991-05-15 EP disclosed