SCHEMBL9756959

SCHEMBL9756959

CCCCCC1COCO1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
EPHX1 P07099 1/20 0.52
CYP1A2 P05177 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
SPHK1 Q9NYA1 7/20 0.38
SPHK2 Q9NRA0 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PRKD3 O94806 2/20 0.34
PRKCG P05129 2/20 0.34
PRKCB P05771 2/20 0.34
PRKCA P17252 2/20 0.34
PRKCH P24723 2/20 0.34
PRKCI P41743 2/20 0.34
PRKCE Q02156 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCZ Q05513 2/20 0.34
PRKCD Q05655 2/20 0.34
PRKD1 Q15139 2/20 0.34
ENPP2 Q13822 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL29013315 0.98 ALDH1A1 (0.72) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL1937285 0.98 ALDH1A1 (0.72) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL10976172 0.98 ALDH1A1 (0.72) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL10975795 0.98 ALDH1A1 (0.72) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL11083593 0.98 ALDH1A1 (0.72) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL29013311 0.98 ALDH1A1 (0.72) ALDH1A1EPHX1CYP1A2TDP1SPHK1
SCHEMBL486550 0.93
SCHEMBL4438913 0.84
SCHEMBL5605198 0.84
SCHEMBL1682675 0.84

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
CN-115850621-A Copolymerized formaldehyde resin composition, metal resin composition taking same as raw material, and preparation method and application thereof 重庆云天化天聚新材料有限公司 2023-03-28 CN claimed
US-5008302-A Photoinitiators for radiation-induced polymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1991-04-16 US claimed
CN-115850621-A Copolymerized formaldehyde resin composition, metal resin composition taking same as raw material, and preparation method and application thereof 重庆云天化天聚新材料有限公司 2023-03-28 CN disclosed