SCHEMBL9766716

SCHEMBL9766716

CCCCCCc1cc(-c2cc(CCCCCC)c(C=O)[nH]2)[nH]c1C=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
GPR84 Q9NQS5 17/20 0.41
HCAR2 Q8TDS4 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.98 HIF1A (0.44) HIF1AEPAS1GPR84HCAR2MEN1
SCHEMBL9766682 0.93 HIF1A (0.38) HIF1AEPAS1GPR84HCAR2TYR
SCHEMBL8194395 0.85 PTPN1 (0.33) HIF1AEPAS1GPR84HCAR2MEN1
SCHEMBL16328684 0.80 NPC1 (0.43) HIF1AEPAS1GPR84MEN1KMT2A
SCHEMBL9766756 0.79 GRIN2D (0.37) KMT2A
SCHEMBL16328805 0.77 HIF1A (0.44) HIF1AEPAS1GPR84HCAR2KMT2A
SCHEMBL16328687 0.77 KDM4E (0.44) HIF1AEPAS1GPR84HCAR2MAPT
SCHEMBL16328776 0.75 ALDH1A1 (0.42) GPR84MAPTTDP1
SCHEMBL8194399 0.74 HCAR2 (0.32) HCAR2
SCHEMBL28740087 0.72 GPR84 (0.47) HIF1AEPAS1GPR84MEN1TP53

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