SCHEMBL21799668

SCHEMBL21799668

CCC(CC)CNCc1cccc(CN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
NOS1 P29475 4/20 0.39
NOS2 P35228 4/20 0.39
ALDH1A1 P00352 2/20 0.39
NOS3 P29474 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
LOXL2 Q9Y4K0 3/20 0.38
ADRB2 P07550 1/20 0.38
BCHE P06276 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIM1 P11309 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
SCHEMBL15859272 0.88 ALDH1A1 (0.49) ANPEPERAP2NOS1NOS2ALDH1A1
SCHEMBL21799537 0.86 ANPEP (0.51) ANPEPERAP2ALDH1A1LOXL2LMNA
SCHEMBL21799963 0.85 ADRB2 (0.40) ANPEPERAP2NOS1NOS2ALDH1A1
SCHEMBL21799981 0.83 CA2 (0.47) ANPEPERAP2NOS1NOS2ALDH1A1
SCHEMBL8500622 0.80 PNMT (0.45) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL1425602 0.80 ALDH1A1 (0.51) ANPEPERAP2NOS1NOS2ALDH1A1
SCHEMBL21799982 0.80 BCHE (0.40) ANPEPERAP2NOS1NOS2ALDH1A1
SCHEMBL30186883 0.80 LOXL2 (0.52) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL834002 0.80 LOXL2 (0.52) NOS1NOS2ALDH1A1NOS3SMN1; SMN2
SCHEMBL21800045 0.80 ADRB2 (0.38) ANPEPERAP2NOS1NOS2ALDH1A1

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