SCHEMBL9805797

SCHEMBL9805797

CCCOC(=O)C(C)=CC#N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 4/20 0.35
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GLO1 Q04760 1/20 0.31
PLK1 P53350 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
SCHEMBL23674229 0.89 ALDH1A1 (0.48) HCAR2TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL23674228 0.89 ALDH1A1 (0.48) HCAR2TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL28589249 0.85 ALDH1A1 (0.41) TSHRALDH1A1GAASMN1; SMN2THRB
SCHEMBL14576672 0.84 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL12364286 0.84 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL5001901 0.84 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL730199 0.77 HCAR2 (0.43) HCAR2TSHRALDH1A1GAASMN1; SMN2
SCHEMBL27337728 0.77 HCAR2 (0.43) HCAR2TSHRALDH1A1GAASMN1; SMN2
SCHEMBL2419657 0.77 HCAR2 (0.43) HCAR2TSHRALDH1A1GAASMN1; SMN2
SCHEMBL2351899 0.77 HCAR2 (0.43) HCAR2TSHRALDH1A1GAASMN1; SMN2

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
EP-0269598-B1 THERAPEUTICAL AGENTS AGAINST LEISHMANIOSE N.V. SOPAR S.A. (BE) 1991-04-10 EP claimed
US-11884814-B2 Resin composition AJINOMOTO CO., INC. (JP) 2024-01-30 US disclosed