SCHEMBL9766682

SCHEMBL9766682

CCCCc1cc(-c2cc(CCCC)c(C=O)[nH]2)[nH]c1C=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
HCAR2 Q8TDS4 3/20 0.36
FFAR3 O14843 2/20 0.36
HCAR3 P49019 1/20 0.36
CTRC Q99895 1/20 0.35
TYR P14679 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
FFAR2 O15552 1/20 0.34
GPR84 Q9NQS5 10/20 0.33
DAO P14920 1/20 0.33
PDE2A O00408 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
GPR35 Q9HC97 1/20 0.33
TYMP P19971 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
SCHEMBL9766749 0.95 HIF1A (0.44) HIF1AEPAS1HCAR2TYRGPR84
SCHEMBL9766716 0.93 HIF1A (0.46) HIF1AEPAS1HCAR2TYRGPR84
SCHEMBL8194395 0.89 PTPN1 (0.33) HIF1AEPAS1HCAR2FFAR3KDM4E
SCHEMBL16328684 0.86 NPC1 (0.43) HIF1AEPAS1GPR84
SCHEMBL16328805 0.84 HIF1A (0.44) HIF1AEPAS1HCAR2FFAR3HCAR3
SCHEMBL16328687 0.84 KDM4E (0.44) HIF1AEPAS1HCAR2FFAR3HCAR3
SCHEMBL9766756 0.82 GRIN2D (0.37)
SCHEMBL16328776 0.81 ALDH1A1 (0.42) KDM4EPKMGPR84
SCHEMBL8194399 0.76 HCAR2 (0.32) HCAR2DAO
SCHEMBL13103031 0.75 HIF1A (0.37) HIF1AEPAS1GPR84DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015478-A Treatment of cancer with porphycene CYTOPHARM, INC. (US) 1991-05-14 US disclosed
US-4913907-A LIPOSOMES CYTOPHARM, INC. (US) 1990-04-03 US disclosed