SCHEMBL8093076

SCHEMBL8093076

CC(C)OC(=O)C(C)(N)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA1A P35348 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
ADRB3 P13945 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL27869319 0.80 TSHR (0.43) TSHRMEN1KMT2AADRA1ALMNA
SCHEMBL4678096 0.80 TSHR (0.43) TSHRMEN1KMT2AADRA1ALMNA
SCHEMBL4678092 0.80 TSHR (0.43) TSHRMEN1KMT2AADRA1ALMNA
Hydrochloric Acid SCHEMBL4276809 0.78 TSHR (0.42) TSHRMEN1KMT2AADRA1ALMNA
SCHEMBL4372797 0.78 DGAT1 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL4372798 0.78 DGAT1 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL5895740 0.78 DGAT1 (0.44)
SCHEMBL29113995 0.78 TSHR (0.42) TSHRMEN1KMT2AADRA1ALMNA
SCHEMBL4511104 0.78 DGAT1 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL5895747 0.78 DGAT1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6075055-A EXCELLENT FUNGICIDAL ACTIVITIES WITH REGARD TO RICE BLAST AND THE LIKE, WHILE AT THE SAME TIME DO NOT HINDER DESIRABLE PLANT GROWTH KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-13 US disclosed
EP-0854134-B1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KUMAII CHEMICAL INDUSTRY CO LT (JP) 2000-04-26 EP disclosed
EP-0854134-A1 PHENYLALKANAMIDE DERIVATIVES AND AGROHORTICULTURAL BACTERICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-07-22 EP disclosed