SCHEMBL28664096

SCHEMBL28664096

O=C(C/C=C/CC(=O)NC1CCCC1)NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 6/20 0.59
▸ HPGD P15428 3/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.55
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ EPHX2 P34913 2/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP2C19 P33261 1/20 0.50
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL24826264 0.85 EPHX1 (0.49) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL20382797 0.83 EPHX1 (0.55) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL3075216 0.81 EPHX1 (0.68) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL17226375 0.81 SMN1; SMN2 (0.55) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL10587847 0.79 ALDH1A1 (0.83) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL5017491 0.79 CNR2 (0.50) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL5015412 0.79 CNR2 (0.50) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL12457773 0.78 EPHX1 (0.53) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL2089148 0.77 EPHX1 (0.63) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL2096409 0.77 EPHX1 (0.63) EPHX1HPGDKMT2ALMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113621175-B Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof 中国科学院化学研究所 2022-10-18 — — CN disclosed
CN-113621175-A Efficient isotactic polypropylene beta-crystal form nucleating agent and preparation method and application thereof 中国科学院化学研究所 2021-11-09 — — CN disclosed
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