SCHEMBL31575807

SCHEMBL31575807

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ POLB P06746 1/20 0.55
▸ LMNA P02545 3/20 0.53
▸ CES2 O00748 1/20 0.53
▸ TSHR P16473 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NOD2 Q9HC29 1/20 0.52
▸ NOD1 Q9Y239 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ AKR1C4 P17516 1/20 0.51
▸ AKR1C3 P42330 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51

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 0.96 HDAC3 (0.58) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL31575827 0.96 HDAC3 (0.58) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL20267329 0.90 LMNA (0.60) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL31575815 0.90 LMNA (0.60) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL18669871 0.87 CES2 (0.54) ALDH1A1POLBLMNACES2CYP3A4
SCHEMBL3870306 0.86 TSHR (0.64) ALDH1A1LMNATSHRTP53CYP3A4
SCHEMBL5371920 0.85 LMNA (0.66) ALDH1A1POLBLMNATSHRTP53
SCHEMBL110817 0.85 LMNA (0.66) ALDH1A1POLBLMNATSHRTP53
SCHEMBL5373212 0.85 LMNA (0.66) ALDH1A1POLBLMNATSHRTP53
SCHEMBL111221 0.85 LMNA (0.66) ALDH1A1POLBLMNATSHRTP53

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-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
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
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