SCHEMBL21799655

SCHEMBL21799655

CCC(C)(CC)NCc1cccc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.40
NOS2 P35228 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NOS3 P29474 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
ENPP2 Q13822 1/20 0.40
LOXL2 Q9Y4K0 3/20 0.39
PRMT6 Q96LA8 1/20 0.38
PIM1 P11309 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
NCF1 P14598 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL21799817 0.86 NOS1 (0.40) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799826 0.85 TPSAB1 (0.41) NOS1NOS2NOS3LOXL2CYP1A2
SCHEMBL21799477 0.84 PNMT (0.44) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL7029428 0.81 ENPP2 (0.46) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799749 0.80 NOS1 (0.38) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799850 0.78 NOS1 (0.39) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL20686991 0.77 RIPK1 (0.50) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21799452 0.77 NOS1 (0.38) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL8500622 0.74 PNMT (0.45) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21799902 0.74 PNMT (0.41) NOS1NOS2ALDH1A1NOS3SMN1; SMN2

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
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 EP disclosed