SCHEMBL7275212

SCHEMBL7275212

CC1=C(C(=O)O)C(CCCc2ccccc2)(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL7267935 0.84 LMNA (0.44) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL4883866 0.84 TP53 (0.43) ALDH1A1KMT2AMEN1LMNAMAPT
Hydrochloric Acid SCHEMBL4883921 0.84 LMNA (0.45) SIGMAR1ALDH1A1KMT2AMEN1NPC1
SCHEMBL8827906 0.82 ALDH1A1 (0.39) ALDH1A1KMT2ALMNACYP1A2MAPT
Hydrochloric Acid SCHEMBL4885075 0.82 ADRA1A (0.52) SIGMAR1KMT2AMEN1CYP1A2MAPT
SCHEMBL9102109 0.79 TP53 (0.47) ALDH1A1LMNAMAPTTSHRSMN1; SMN2
SCHEMBL9249991 0.79 CACNA1B (0.45) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7326485 0.79 CACNA1B (0.45) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7289949 0.79 MEN1 (0.41) ALDH1A1KMT2AMEN1HPGDRAB9A
SCHEMBL7284574 0.77 ADRB1 (0.46) ALDH1A1KMT2AMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173126-A1 Process for preparing novel dihydropyridine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed