SCHEMBL9736947

SCHEMBL9736947

CCCCCc1c(C#Cc2[nH]c(C=O)c(CCCCC)c2CCCCC)[nH]c(C=O)c1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
TYMP P19971 4/20 0.37
GPR84 Q9NQS5 10/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9736441 0.98 HIF1A (0.41) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL9737372 0.98 HIF1A (0.41) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL9737200 0.95 TYMP (0.35) HIF1AEPAS1TYMPMAPTKDM4E
SCHEMBL9736823 0.76 IGF1R (0.32)
SCHEMBL18825085 0.71 HIF1A (0.41) HIF1AEPAS1TYMPGPR84KDM4E
SCHEMBL6427930 0.69 SCD (0.40) GPR84ALDH1A1HSD17B10
SCHEMBL10885262 0.64 GPR84 (0.42) HIF1AEPAS1TYMPGPR84
SCHEMBL10716857 0.63 HIF1A (0.43) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL9766749 0.63 HIF1A (0.44) HIF1AEPAS1GPR84MAPT
SCHEMBL9766716 0.62 HIF1A (0.46) HIF1AEPAS1GPR84MAPT

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-5132101-A Acetylene-cumulene porphycene compounds for photodynamic therapy CYTOPHARM, INC. (US) 1992-07-21 US disclosed