SCHEMBL9737372

SCHEMBL9737372

CCCCCCc1c(C#Cc2[nH]c(C=O)c(CCCCCC)c2CCCCCC)[nH]c(C=O)c1CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TYMP P19971 3/20 0.38
GPR84 Q9NQS5 11/20 0.36
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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 1.00 HIF1A (0.41) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL9736947 0.98 HIF1A (0.39) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL9736823 0.74 IGF1R (0.32)
SCHEMBL18825085 0.70 HIF1A (0.41) HIF1AEPAS1TYMPGPR84KDM4E
SCHEMBL6427930 0.68 SCD (0.40) GPR84ALDH1A1HSD17B10
SCHEMBL10716857 0.66 HIF1A (0.43) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL9766716 0.64 HIF1A (0.46) HIF1AEPAS1GPR84MAPT
SCHEMBL17008157 0.63 TSHR (0.57) HIF1ATYMPKDM4EALDH1A1HSD17B10
SCHEMBL10376154 0.63 HIF1A (0.41) HIF1AEPAS1TYMPGPR84MAPT
SCHEMBL7084583 0.63 HIF1A (0.41) HIF1AEPAS1TYMPGPR84ALDH1A1

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