SCHEMBL31575827

SCHEMBL31575827

CCCCOC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ NOD2 Q9HC29 2/20 0.55
▸ NOD1 Q9Y239 2/20 0.55
▸ CES2 O00748 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ ESR1 P03372 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ CYP2D6 P10635 1/20 0.53

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
SCHEMBL6795049 1.00 HDAC3 (0.58) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL31575807 0.96 HDAC3 (0.56) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL20267329 0.91 LMNA (0.60) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL31575815 0.91 LMNA (0.60) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL5030924 0.87 PPARD (0.50) NOD2NOD1L3MBTL1CYP1A2CYP2C19
SCHEMBL13996233 0.87 PPARD (0.50) NOD2NOD1L3MBTL1CYP1A2CYP2C19
SCHEMBL111861 0.86 L3MBTL1 (0.64) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL18669871 0.85 CES2 (0.54) ALDH1A1POLBCES2CYP1A2CYP2C19
SCHEMBL27404771 0.85 LMNA (0.53) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL30786693 0.84 CES2 (0.61) HDAC3HDAC1HDAC2ALDH1A1POLB

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
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 — — CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 — — CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 — — CN disclosed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 — — CN disclosed
Send feedback