SCHEMBL21799563

SCHEMBL21799563

CCC(CC)NCc1ccc(CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PSIP1 O75475 1/20 0.39
LOXL2 Q9Y4K0 4/20 0.39
DPP7 Q9UHL4 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ABAT P80404 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A4 P31645 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21800020 0.89 TPSAB1 (0.38) TPSAB1ALDH1A1ALOX12HRH3PSIP1
SCHEMBL21799954 0.85 PNMT (0.41) ALDH1A1LOXL2KMT2AL3MBTL1
SCHEMBL21799748 0.82 SIGMAR1 (0.46) TPSAB1ALDH1A1HRH3PSIP1LOXL2
SCHEMBL3440239 0.81 LOXL2 (0.47) ALDH1A1ALOX12LOXL2DPP7KMT2A
SCHEMBL21799512 0.79 TPSAB1 (0.39) TPSAB1HRH3PSIP1LOXL2DPP7
SCHEMBL21799762 0.79 TPSAB1 (0.39) TPSAB1ALDH1A1HRH3PSIP1LOXL2
SCHEMBL14549210 0.78 TPSAB1 (0.45) TPSAB1HRH3LOXL2ANPEPERAP2
SCHEMBL9063683 0.78 SIGMAR1 (0.55) ALDH1A1KMT2AL3MBTL1
SCHEMBL19091368 0.76 ALDH1A1 (0.48) ALDH1A1ALOX12L3MBTL1CYP1A2CYP2D6
SCHEMBL18713587 0.76 ALDH1A1 (0.53) ALDH1A1KMT2AL3MBTL1CYP1A2CYP2D6

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