SCHEMBL9730370

SCHEMBL9730370

CC(C)=CCCC(C)=CCn1c(CO)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.47
ALDH1A2 O94788 1/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
TNF P01375 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL2084121 0.89 LMNA (0.62) LMNAKMT2AKDM4EPOLBALDH1A1
SCHEMBL10639923 0.84 LMNA (0.48) LMNAALDH1A1TNFTSHRSMN1; SMN2
SCHEMBL10639930 0.84 LMNA (0.48) LMNAALDH1A1TNFTSHRSMN1; SMN2
SCHEMBL5144238 0.83 LMNA (0.44) LMNAKMT2AALDH1A1ALDH1A2ALDH2
SCHEMBL5144242 0.83 LMNA (0.44) LMNAKMT2AALDH1A1ALDH1A2ALDH2
SCHEMBL9729392 0.79 HSD17B10 (0.46) LMNAKMT2AKDM4EPOLBALDH1A1
SCHEMBL1520132 0.75 PKM (0.67) LMNAKMT2AKDM4EPOLBALDH1A1
Oxalic Acid SCHEMBL9730818 0.75 MAPT (0.49) LMNAPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL9730248 0.75 MAPT (0.43) LMNAKMT2AKDM4EPOLBALDH1A1
SCHEMBL10639415 0.74 KDM4E (0.46) LMNAKMT2AKDM4EPOLBALDH1A1

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