SCHEMBL21799719

SCHEMBL21799719

CC(C)CCCNC1CCCC(N)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR5 Q9H228 1/20 0.39
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.32
INPP5D Q92835 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL21799914 0.90 MMP8 (0.41) S1PR4S1PR1S1PR3S1PR5MMP2
SCHEMBL15934161 0.84 ALDH1A1 (0.42) S1PR4S1PR1S1PR3S1PR5CYP2C19
SCHEMBL21799555 0.81 S1PR4 (0.49) S1PR4S1PR1S1PR3S1PR5CYP2C19
SCHEMBL21799450 0.80 MMP8 (0.39) MMP2MMP8SMN1; SMN2KDM1A
SCHEMBL11932559 0.80 ALDH1A1 (0.46) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21799522 0.79 S1PR4 (0.55) S1PR4S1PR1S1PR3S1PR5
SCHEMBL14163252 0.79 S1PR4 (0.36) S1PR4S1PR1S1PR3S1PR5CYP2C19
SCHEMBL21799530 0.79 MMP2 (0.36) S1PR4S1PR1S1PR3MMP2MMP8
SCHEMBL23166066 0.79 MMP8 (0.34) S1PR4S1PR1S1PR3S1PR5MMP2
SCHEMBL7058555 0.78 CXCR4 (0.44) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9

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-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
CN-110603273-B Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2022-10-14 CN disclosed
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
CN-110603273-A Modified block copolymer, method for producing modified block copolymer, and resin composition 旭化成株式会社 2019-12-20 CN disclosed