SCHEMBL7964969

SCHEMBL7964969

CCCCCCNC(C)[O]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 2/20 0.41
GBA1 P04062 3/20 0.40
CASP2 P42575 1/20 0.40
THRB P10828 1/20 0.40

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
Ethane SCHEMBL9452341 0.98 EPHX1 (0.44) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL1935781 0.97
SCHEMBL1934994 0.90
SCHEMBL11008729 0.80 EPHX1 (0.46) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL23696489 0.79 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL6899576 0.79 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL6899503 0.79 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL1026323 0.79 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL23945383 0.79 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL19038581 0.79 EPHX1 (0.50) EPHX1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
EP-0641321-A1 SUBSTITUTED ISOINDOLONES BASF Aktiengesellschaft (DE) 1995-03-08 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993024456-A1 SUBSTITUTED ISOINDOLONES BASF AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed