SCHEMBL29016002

SCHEMBL29016002

CCCc1cccc(C(=O)OCCCNc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.50
▸ CYP4A11 Q02928 3/20 0.50
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ SCN5A Q14524 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SENP1 Q9P0U3 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAOA P21397 1/20 0.46

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
SCHEMBL29015985 0.94 CYP4F2 (0.52) CYP4F2CYP4A11MAPTSMN1; SMN2RAB9A
SCHEMBL29016000 0.91 RAB9A (0.50) CYP4F2CYP4A11MAPTSMN1; SMN2RAB9A
SCHEMBL28570287 0.83 SCN5A (0.51) SMN1; SMN2RAB9ACYP1A2SCN5ANPC1
SCHEMBL15344564 0.83 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2RAB9ACYP1A2
SCHEMBL28562190 0.82 SCN5A (0.50) SMN1; SMN2RAB9ACYP1A2SCN5ANPC1
SCHEMBL8349531 0.82 TDP1 (0.68) MAPTSMN1; SMN2RAB9ACYP1A2SCN5A
SCHEMBL15344632 0.80 LMNA (0.62) CYP4F2CYP4A11MAPTSMN1; SMN2TP53
SCHEMBL29016041 0.80 TDP1 (0.47) MAPTSMN1; SMN2RAB9ACYP1A2SCN5A
SCHEMBL29016063 0.79 TDP1 (0.46) MAPTSMN1; SMN2RAB9ACYP1A2SCN5A
SCHEMBL28558279 0.79 SCN5A (0.47) SMN1; SMN2RAB9ACYP1A2SCN5ANPC1

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-112759531-B Novel imine compound and preparation method thereof 中国石油化工股份有限公司 2023-07-21 — — CN disclosed
CN-112759675-B Catalyst component for preparing polyolefin, catalyst and application thereof 中国石油化工股份有限公司 2023-05-02 — — CN disclosed
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