SCHEMBL9058090

SCHEMBL9058090

COc1cc(OC/C=C(\C)CCC=C(C)C)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.55
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
ALOX15 P16050 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
NDUFS8 O00217 2/20 0.53
COXFA4 O00483 2/20 0.53
NDUFAB1 O14561 2/20 0.53
NDUFA1 O15239 2/20 0.53
NDUFS4 O43181 2/20 0.53
NDUFB5 O43674 2/20 0.53
NDUFB3 O43676 2/20 0.53
NDUFC1 O43677 2/20 0.53
NDUFA2 O43678 2/20 0.53
NDUFS5 O43920 2/20 0.53
NDUFS7 O75251 2/20 0.53
NDUFS2 O75306 2/20 0.53
NDUFS6 O75380 2/20 0.53
NDUFB1 O75438 2/20 0.53
NDUFS3 O75489 2/20 0.53

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
SCHEMBL9058093 1.00 MTNR1A (0.55) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL6652005 0.94 ALOX15 (0.56) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL6652010 0.94 ALOX15 (0.56) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL6655312 0.92 MTNR1A (0.56) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL6656213 0.92 MTNR1A (0.56) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL4653735 0.89 KDM4E (0.56) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL4653737 0.89 KDM4E (0.56) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL6651692 0.85 ALOX15 (0.55) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL3302293 0.85 MAOB (0.55) MTNR1AMAOBMAOAALOX15TDP1
SCHEMBL3303212 0.85 MAOB (0.55) MTNR1AMAOBMAOAALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017589-A1 METHOD OF SMOOTHING OR REMOVING WRINKLES AND METHOD OF STIMULATING COLLAGEN SYNTHESIS KAO CORPORATION (JP) 1996-06-13 WO disclosed