SCHEMBL21799458

SCHEMBL21799458

CCC(C)CNc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
APP P05067 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
SCHEMBL21799531 0.85 CA1 (0.37) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL13972972 0.82 CA12 (0.38) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL21758086 0.82 MAOA (0.37) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL1926209 0.81 CA12 (0.42) ALDH1A1CYP3A4L3MBTL1TDP1CA1
SCHEMBL21799587 0.81 APP (0.41) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL23323138 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
SCHEMBL489425 0.79 MAPT (0.47) ALDH1A1CYP3A4L3MBTL1TSHRTDP1
Hydrochloric Acid SCHEMBL27686456 0.79 CA12 (0.41) ALDH1A1CYP3A4L3MBTL1TDP1CA1
SCHEMBL2878804 0.78 MAPT (0.43) ALDH1A1SMN1; SMN2CA1CA2CA12
SCHEMBL21799972 0.78 MAPT (0.43) ALDH1A1CYP3A4TDP1TP53CASP1

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 4 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
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