SCHEMBL9251201

SCHEMBL9251201

CCCCOC(=O)C1Cc2ccccc2C(C(=O)[C@H](C)N)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 3/20 0.35
HTR2A P28223 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TRPA1 O75762 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9251200 1.00 L3MBTL1 (0.37) L3MBTL1TSHRTDP1ALDH1A1HSD17B10
SCHEMBL16766773 0.87 PPARG (0.42) L3MBTL1TSHRTDP1ALDH1A1MAPK1
SCHEMBL9334631 0.85 TSHR (0.36) L3MBTL1TSHRTDP1ALDH1A1HSD17B10
SCHEMBL7370924 0.83 PPARG (0.42) L3MBTL1TSHRTDP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9257473 0.79 TSHR (0.35) TSHRALDH1A1MAPK1KDM4EHTR2A
SCHEMBL10490158 0.78 MAPT (0.45) TSHRALDH1A1MAPK1KDM4EHTR2A
SCHEMBL17918582 0.73 KMT2A (0.45) L3MBTL1TSHRTDP1HSD17B10MAPK1
SCHEMBL27492109 0.73 GAA (0.54) L3MBTL1TSHRTDP1ALDH1A1HSD17B10
SCHEMBL10698578 0.72 TSHR (0.37) TSHRALDH1A1MAPK1KDM4EHTR2A
SCHEMBL700153 0.72 TSHR (0.55) L3MBTL1TSHRTDP1

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-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed