SCHEMBL28705461

SCHEMBL28705461

CCC(CCc1ccc(OC(C)=O)cc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
FKBP1A P62942 3/20 0.43
LIPE Q05469 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39

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
SCHEMBL9734859 0.74 GRM2 (0.47) KMT2AMEN1HRH3
SCHEMBL8039027 0.74 LMNA (0.50) HSD17B10LMNAPKM
Hydrochloric Acid SCHEMBL9734462 0.74 GRM2 (0.46) KMT2AMEN1HRH3
SCHEMBL4024651 0.73 SMN1; SMN2 (0.65) KMT2AHPGDHRH3
SCHEMBL10565609 0.72 S1PR1 (0.44) KMT2AMEN1LMNAPKM
SCHEMBL9621840 0.71 HSD17B10 (0.45) KMT2AMEN1ALDH1A1GAAHSD17B10
SCHEMBL9081470 0.70 LMNA (0.61) KMT2AMEN1ALDH1A1GAAHSD17B10
SCHEMBL10744316 0.70 HSD17B10 (0.47) KMT2AMEN1GAAHSD17B10LMNA
SCHEMBL6554169 0.70 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1GAAHSD17B10
SCHEMBL8602258 0.70 LMNA (0.48) ALDH1A1GAAHSD17B10LMNAPKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929948-A High-wear-resistance high-water-contact-angle hardened film 宁波惠之星新材料科技有限公司 2022-01-14 CN disclosed