SCHEMBL9729392

SCHEMBL9729392

CC(C)=CCCC(C)=CCSc1nc2ccccc2n1CC=C(C)CCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ICMT O60725 1/20 0.46
GMNN O75496 1/20 0.46
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
CDK2 P24941 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40

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
Oxalic Acid SCHEMBL9730818 0.94 MAPT (0.49) HSD17B10LMNAMAPTICMTGMNN
SCHEMBL10639923 0.84 LMNA (0.48) LMNAMAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL10639930 0.84 LMNA (0.48) LMNAMAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL5144242 0.80 LMNA (0.44) LMNACYP1A2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL5144238 0.80 LMNA (0.44) LMNACYP1A2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL9730370 0.79 LMNA (0.54) LMNAMAPTPOLBTSHRALDH1A1
SCHEMBL9729574 0.77 PDPK1 (0.39) HSD17B10LMNAMAPTICMTGMNN
SCHEMBL9671197 0.74 PDE7A (0.59) TSHRALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL9671209 0.74 PDE7A (0.59) TSHRALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL10636971 0.74 LMNA (0.46) LMNAMAPTTSHRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106863-A Antiulcer agents, gastrointestinal disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1992-04-21 US disclosed