SCHEMBL454778

SCHEMBL454778

CC(C)(C)C(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 3/20 0.51
PLAAT5 Q96KN8 3/20 0.51
PLAAT2 Q9NWW9 3/20 0.51
PLAAT4 Q9UL19 3/20 0.51
CYP24A1 Q07973 1/20 0.50
FFAR1 O14842 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PDPK1 O15530 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2125187 0.89 HDAC3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CYP24A1
SCHEMBL13543175 0.82 FFAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CYP24A1
SCHEMBL11978603 0.82 CYP24A1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4CYP24A1
SCHEMBL8980106 0.82 CYP24A1 (0.51) CYP24A1HDAC2HDAC8MEN1KMT2A
SCHEMBL10423547 0.82 CYP3A4 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL9801518 0.81 KMT2A (0.53) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL11076794 0.81 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL24111761 0.81 NR1H4 (0.53) CYP24A1CYP2C19POLBGAA
SCHEMBL27851354 0.81 CYP24A1 (0.50) CYP24A1FFAR1PDPK1POLBCTDSP1
SCHEMBL8153818 0.80 ALDH1A1 (0.61) CYP24A1FFAR1HDAC1HDAC6HDAC3

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 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120157568-A Preparation process of pinacolone derivative 山东省科学院菏泽分院 2025-06-17 CN claimed
CN-116891444-B Preparation method of tebuconazole epoxy compound 成武县晨晖环保科技有限公司 2025-03-21 CN claimed
CN-116535301-B Green and efficient synthesis method of 1- (4-chlorophenyl) -4, 4-dimethyl-3-pentanone 辽宁众辉生物科技有限公司 2024-08-16 CN claimed
CN-118440029-A Preparation method of tebuconazole epoxy compound and oil-water separation device 内蒙古犇星化学有限公司 2024-08-06 CN claimed
CN-118344245-A Preparation method of 1- (4-chlorophenyl) -4, 4-dimethyl-3-pentanone 宁波三江益农化学有限公司 2024-07-16 CN claimed
CN-118084639-A Production process of 1- (4-chlorophenyl) -4, 4-dimethyl-3-pentanone 成武县晨晖环保科技有限公司 2024-05-28 CN claimed
CN-116891444-A Preparation method of tebuconazole epoxy compound 成武县晨晖环保科技有限公司 2023-10-17 CN claimed
CN-116730816-A Preparation method of 1- (4-chlorophenyl) -4, 4-dimethyl-3-pentanone 江苏七洲绿色科技研究院有限公司 2023-09-12 CN claimed
CN-116535301-A Green and efficient synthesis method of 1- (4-chlorophenyl) -4, 4-dimethyl-3-pentanone 辽宁众辉生物科技有限公司 2023-08-04 CN claimed
CN-218752675-U 1- (4-chlorphenyl) -4, 4-dimethyl-3-pentanone feed tank 安达市多森新材料科技有限公司 2023-03-28 CN claimed
EP-0355350-A1 Process for the preparation of 4,4-dimethyl-1-(p-chlorophenyl)-pentan-3-one BAYER AG (DE) 1990-02-28 EP claimed
US-4898954-A Process for the preparation of oxiranes BAYER AKTIENGESELLSCHAFT (DE) 1990-02-06 US claimed
EP-0224723-B1 PROCESS FOR THE PREPARATION OF BETA-HYDROXYETHYL-AZOLE DERIVATIVES BAYER AG (DE) 1989-11-23 EP claimed
EP-0219799-B1 METHOD FOR THE PREPARATION OF OXIRANES BAYER AG (DE) 1988-12-14 EP claimed
EP-0124009-B1 PROCESS FOR THE PREPARATION OF OXIRANES BAYER AG (DE) 1988-11-02 EP claimed
EP-0124014-B1 PROCESS FOR THE PREPARATION OF OXIRANES BAYER AG (DE) 1988-10-05 EP claimed
EP-0224723-A1 Process for the preparation of beta-hydroxyethyl-azole derivatives BAYER AG (DE) 1987-06-10 EP claimed
EP-0219799-A1 Method for the preparation of oxiranes BAYER AG (DE) 1987-04-29 EP claimed
EP-0124014-A2 Process for the preparation of oxiranes BAYER AG (DE) 1984-11-07 EP claimed
EP-0124009-A2 Process for the preparation of oxiranes BAYER AG (DE) 1984-11-07 EP claimed