SCHEMBL9577841

SCHEMBL9577841

CC(C)(C)CC(=O)C(Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.30

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
SCHEMBL7445279 0.74 MMP8 (0.36) LMNATSHRALDH1A1GAA
SCHEMBL901650 0.72
SCHEMBL5746457 0.71 ALDH1A1 (0.35) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL250869 0.69
SCHEMBL7910108 0.69 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL289489 0.68 HDAC1 (0.43) LMNACHRM1ADRA1ATSHRALDH1A1
SCHEMBL13806868 0.67 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL16368775 0.67 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1ACYP2D6
Hydrochloric Acid SCHEMBL11105202 0.67 TSHR (0.40) LMNATSHRHIF1AALDH1A1
SCHEMBL10430794 0.67

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
EP-0376859-B1 METHOD FOR FUNCTIONALIZATION OF NUCLEOPHILES EASTMAN KODAK COMPANY (US) 1993-03-31 EP claimed
US-5051529-A Transesterification, amidation and acetoacetylation of amines, alcohols, mercaptans and polymers EASTMAN KODAK COMPANY (US) 1991-09-24 US claimed
EP-0376859-A1 Method for functionalization of nucleophiles EASTMAN KODAK COMPANY (US) 1990-07-04 EP claimed