SCHEMBL8575692

SCHEMBL8575692

CCCCOC(=O)N=C(NC(=O)OCCCC)SC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
EPHX1 P07099 1/20 0.41
ACHE P22303 13/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL8575690 1.00 ALDH1A1 (0.43) ALDH1A1EPHX1ACHENPC1RAB9A
SCHEMBL11631146 0.95 EPHX1 (0.47) ALDH1A1EPHX1ACHE
SCHEMBL11631150 0.95 EPHX1 (0.47) ALDH1A1EPHX1ACHE
SCHEMBL11626000 0.94 EPHX1 (0.50) EPHX1ACHE
SCHEMBL11625997 0.94 EPHX1 (0.50) EPHX1ACHE
SCHEMBL11403086 0.90 MAPK1 (0.36) ALDH1A1EPHX1ACHESMN1; SMN2HPGD
SCHEMBL11280768 0.90 MAPK1 (0.36) ALDH1A1EPHX1ACHESMN1; SMN2HPGD
SCHEMBL8058310 0.88 ALDH1A1 (0.47) ALDH1A1EPHX1ACHENPC1RAB9A
SCHEMBL8058307 0.88 ALDH1A1 (0.47) ALDH1A1EPHX1ACHENPC1RAB9A
SCHEMBL8058305 0.88 ALDH1A1 (0.47) ALDH1A1EPHX1ACHENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
US-4312873-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1982-01-26 US disclosed
US-4299837-A IN ANIMALS MONTEDISON S.P.A. (IT) 1981-11-10 US disclosed
US-4191764-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1980-03-04 US disclosed
US-4139626-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1979-02-13 US disclosed
US-4086235-A PESTICIDES, ANTHELMINTICS, ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1978-04-25 US disclosed
US-4080461-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1978-03-21 US disclosed
US-4031228-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anti-protozoal activity SYNTEX (U.S.A.) INC. (US) 1977-06-21 US disclosed
US-4011320-A PESTICIDES, FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1977-03-08 US disclosed
US-4005202-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1977-01-25 US disclosed
US-4002640-A ANTIFUNGAL AGENTS SYNTEX (U.S.A.) INC. (US) 1977-01-11 US disclosed
US-3993768-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-11-23 US disclosed
US-3965113-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-06-22 US disclosed
US-3962437-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-06-08 US disclosed
US-3935209-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1976-01-27 US disclosed