SCHEMBL8860901

SCHEMBL8860901

[CH2]C(C)C(=O)OC(C)(C)CC

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MMP8 P22894 1/20 0.31

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
SCHEMBL2355142 0.82 ALDH1A1 (0.36) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL27829186 0.80 ALDH1A1 (0.35) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL12687082 0.78 CYP3A4 (0.33) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL15494144 0.78 CYP3A4 (0.33) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL19236697 0.78 CYP3A4 (0.51) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL786077 0.78 CYP3A4 (0.33) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL28528261 0.78 CYP3A4 (0.51) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL12172541 0.77 CYP3A4 (0.33) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL13077857 0.77 CYP3A4 (0.33) CYP3A4TSHRALDH1A1TDP1CYP1A2
SCHEMBL11055667 0.77 LMNA (0.35) CYP3A4TSHRALDH1A1TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed