SCHEMBL6904003

SCHEMBL6904003

CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC.[SiH4]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ THRB P10828 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ APEX1 P27695 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ HSPD1 P10809 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ RECQL P46063 1/20 0.62

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
SCHEMBL9118231 1.00 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL5447002 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL6413992 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL9609762 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL314687 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603028 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL1044825 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603306 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603497 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL21051915 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995017893-A1 METHODS FOR PREVENTING OR TREATING HIV-1 OR HIV-2 INFECTION NEW YORK BLOOD CENTER (US) 1995-07-06 — — WO claimed
US-6727240-B1 PROTOPORPHYRIN IX IS VAGINALLY ADMINISTERED NEW YORK BLOOD CENTER, INC. 2004-04-27 — — US disclosed
US-6727240-B1 PROTOPORPHYRIN IX IS VAGINALLY ADMINISTERED NEW YORK BLOOD CENTER, INC. 2004-04-27 — — US disclosed
WO-1995017893-A1 METHODS FOR PREVENTING OR TREATING HIV-1 OR HIV-2 INFECTION NEW YORK BLOOD CENTER (US) 1995-07-06 — — WO disclosed
WO-1995017893-A1 METHODS FOR PREVENTING OR TREATING HIV-1 OR HIV-2 INFECTION NEW YORK BLOOD CENTER (US) 1995-07-06 — — WO disclosed
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