SCHEMBL9856624

SCHEMBL9856624

CC(C)=CCOc1ccc(S)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MTNR1A P48039 1/20 0.46
NDUFS8 O00217 1/20 0.44
COXFA4 O00483 1/20 0.44
NDUFAB1 O14561 1/20 0.44
NDUFA1 O15239 1/20 0.44
NDUFS4 O43181 1/20 0.44
NDUFB5 O43674 1/20 0.44
NDUFB3 O43676 1/20 0.44
NDUFC1 O43677 1/20 0.44
NDUFA2 O43678 1/20 0.44
NDUFS5 O43920 1/20 0.44
NDUFS7 O75251 1/20 0.44
NDUFS2 O75306 1/20 0.44
NDUFS6 O75380 1/20 0.44
NDUFB1 O75438 1/20 0.44
NDUFS3 O75489 1/20 0.44
NDUFB6 O95139 1/20 0.44
NDUFA3 O95167 1/20 0.44

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
SCHEMBL8036010 0.89 KDM4E (0.53) KDM4EALDH1A1MTNR1ANDUFS8COXFA4
SCHEMBL4114408 0.83 KDM4E (0.49) KDM4EALDH1A1MTNR1ANDUFS8COXFA4
SCHEMBL9856070 0.82 MGAM (0.55) KDM4EALDH1A1MTNR1AGAALMNA
SCHEMBL14012896 0.82 MAOB (0.52) KDM4EALDH1A1MTNR1AHTTGAA
SCHEMBL9727736 0.82 CYP19A1 (0.48) KDM4EALDH1A1MTNR1AGAAMGAM
SCHEMBL11555831 0.80 MAOB (0.53) KDM4EALDH1A1MTNR1AHTTGAA
SCHEMBL20024720 0.80 MAPT (0.55) KDM4EALDH1A1MTNR1ANDUFS8COXFA4
SCHEMBL670129 0.80 PPARD (0.49) KDM4EALDH1A1MTNR1AHTTGAA
SCHEMBL1135899 0.79 NDUFS8 (0.49) KDM4EALDH1A1MTNR1ANDUFS8COXFA4
SCHEMBL9262789 0.78 ALDH1A1 (0.50) KDM4EALDH1A1MTNR1AHTTGAA

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed