SCHEMBL8881795

SCHEMBL8881795

CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.55
▸ BACE1 P56817 3/20 0.53
▸ PTPN1 P18031 2/20 0.53
▸ APP P05067 1/20 0.53
▸ CNR2 P34972 2/20 0.49
▸ ICMT O60725 1/20 0.49
▸ GMNN O75496 1/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL8881800 1.00 MAOB (0.55) MAOBBACE1PTPN1APPCNR2
SCHEMBL8882340 0.86 TRPV1 (0.50) MAOBBACE1PTPN1APPCNR2
SCHEMBL8882335 0.86 TRPV1 (0.50) MAOBBACE1PTPN1APPCNR2
SCHEMBL15970448 0.83 PTPN1 (0.57) MAOBBACE1PTPN1APPCNR2
SCHEMBL15970225 0.83 PTPN1 (0.57) MAOBBACE1PTPN1APPCNR2
SCHEMBL15970447 0.83 PTPN1 (0.57) MAOBBACE1PTPN1APPCNR2
SCHEMBL14248732 0.83 PTPN1 (0.57) MAOBBACE1PTPN1APPCNR2
SCHEMBL25207048 0.83 MAOB (0.58) MAOBPTPN1APPLMNACYP3A4
SCHEMBL30382112 0.83 MAOB (0.58) MAOBPTPN1APPLMNACYP3A4
SCHEMBL25207050 0.83 MAOB (0.58) MAOBPTPN1APPLMNACYP3A4

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-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 — — US claimed
US-5646184-A SEBACEOUS SECRETION INHIBITORY ACTIVITY KAO CORPORATION (JP) 1997-07-08 — — US disclosed
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