SCHEMBL21799530

SCHEMBL21799530

CC(C)CCCNC1CCC(N)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
SMYD3 Q9H7B4 4/20 0.36
MAPKAPK2 P49137 1/20 0.35
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
METAP1 P53582 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDGFRA P16234 3/20 0.31
CCNE1 P24864 3/20 0.31
CDK2 P24941 3/20 0.31
GAA P10253 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
SCHEMBL21799956 0.88 MMP8 (0.41) MMP2MMP8SMYD3MAPKAPK2METAP1
SCHEMBL25957911 0.84 GNAI3 (0.41) SMYD3GNAI3GNAO1GNAI1METAP1
SCHEMBL15934161 0.82 ALDH1A1 (0.42) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL11932559 0.82 ALDH1A1 (0.46) GNAI3GNAO1GNAI1ALDH1A1CYP1A2
SCHEMBL7584311 0.81 KMT2A (0.34) SMYD3GNAI3GNAO1GNAI1METAP1
SCHEMBL7058555 0.80 CXCR4 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21799719 0.79 S1PR4 (0.39) MMP2MMP8S1PR4S1PR1S1PR3
SCHEMBL22759947 0.78 GNAI3 (0.48) SMYD3GNAI3GNAO1GNAI1METAP1
SCHEMBL8338316 0.78 GNAI3 (0.48) SMYD3GNAI3GNAO1GNAI1METAP1
SCHEMBL18232482 0.77 SMYD3 (0.41) MMP2MMP8SMYD3MAPKAPK2METAP1

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