SCHEMBL29016000

SCHEMBL29016000

CCc1cccc(C(=O)OCCCNc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ SENP1 Q9P0U3 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ USP2 O75604 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR2C P28335 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HTR2B P41595 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47

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
SCHEMBL29016002 0.91 CYP4F2 (0.50) RAB9AHIF1ASENP1MAPTTDP1
SCHEMBL29015985 0.90 CYP4F2 (0.52) RAB9AHIF1ASENP1MAPTCYP1A2
SCHEMBL8349531 0.85 TDP1 (0.68) RAB9AHIF1AMAPTTDP1CYP1A2
SCHEMBL28553022 0.85 SMN1; SMN2 (0.52) TDP1CYP1A2SMN1; SMN2CYP2C9USP2
SCHEMBL29016041 0.82 TDP1 (0.47) RAB9AMAPTTDP1CYP1A2SMN1; SMN2
SCHEMBL29016063 0.82 TDP1 (0.46) RAB9AMAPTTDP1CYP1A2SMN1; SMN2
SCHEMBL28562190 0.81 SCN5A (0.50) RAB9ATDP1CYP1A2SMN1; SMN2CYP2C9
SCHEMBL10706157 0.81 L3MBTL1 (0.57) RAB9AMAPTTDP1CYP1A2SMN1; SMN2
SCHEMBL13291593 0.80 CYP4F2 (0.62) MAPTSMN1; SMN2CYP4F2CYP4A11LMNA
SCHEMBL11158358 0.80 MAPT (0.58) RAB9ASENP1MAPTCYP1A2SMN1; 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-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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