SCHEMBL8930176

SCHEMBL8930176

CCC1=C(C(=O)Cl)SCCO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL8930182 0.84 MAPK1 (0.39) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL8930172 0.82 MAPK1 (0.35) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL8930175 0.82 MAPK1 (0.35) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL3967541 0.76 MAPK1 (0.51) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL8930003 0.69 MTNR1A (0.34) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL8929999 0.69 MTNR1A (0.34) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL12806954 0.69
SCHEMBL3767102 0.68 MAPK1 (0.32) MAPK1HSD17B10
SCHEMBL8440916 0.63 MAPK1 (0.47) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL8930177 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed
CN-1051036-A The treatment of HIV (human immunodeficiency virus) infections and in treatment used compound UNIROYAL CHEM CO INC (US) 1991-05-01 CN disclosed