SCHEMBL8412413

SCHEMBL8412413

CC(=O)NCCSc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.72
MTNR1B P49286 4/20 0.72
KDM4E B2RXH2 1/20 0.56
F13A1 P00488 1/20 0.56
TEAD1 P28347 1/20 0.50
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50
TEAD2 Q15562 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL9808094 0.85 TEAD1 (0.53) MTNR1AMTNR1BTEAD1YAP1TEAD4
SCHEMBL9808089 0.85 TEAD1 (0.53) MTNR1AMTNR1BTEAD1YAP1TEAD4
SCHEMBL9212481 0.84 MTNR1A (0.70) MTNR1AMTNR1BTEAD1YAP1TEAD4
SCHEMBL660740 0.84 TEAD1 (0.71) MTNR1AMTNR1BKDM4ETEAD1YAP1
SCHEMBL21963810 0.84 MTNR1A (0.54) MTNR1AMTNR1BTEAD1YAP1TEAD4
SCHEMBL10316528 0.84 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1HPGDCYP1A2
SCHEMBL9808073 0.84 TEAD1 (0.60) MTNR1AMTNR1BKDM4ETEAD1YAP1
SCHEMBL9221638 0.83 MTNR1A (0.68) MTNR1AMTNR1BTEAD1YAP1TEAD4
SCHEMBL9808086 0.82 TEAD1 (0.58) MTNR1AMTNR1BKDM4ETEAD1YAP1
SCHEMBL3400130 0.81 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054169-A1 COMPOSITIONS AND METHODS FOR TOPICAL TREATMENT WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2025-03-13 WO claimed
WO-2023172718-A1 LIPID FORMULATIONS CONTAINING BIOACTIVE FATTY ACIDS AND OTHER BIOACTIVE AGENTS SCIADONICS, INC. (US) 2023-09-14 WO claimed
WO-2025054169-A1 COMPOSITIONS AND METHODS FOR TOPICAL TREATMENT WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2025-03-13 WO disclosed
WO-2023172718-A1 LIPID FORMULATIONS CONTAINING BIOACTIVE FATTY ACIDS AND OTHER BIOACTIVE AGENTS SCIADONICS, INC. (US) 2023-09-14 WO disclosed
US-5925332-A RADIOACTIVE LABELS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1999-07-20 US disclosed
US-5756068-A Methods of radioimaging and radiochemotherapy using phenolic thioeter amines and acyl derivatives thereof THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1998-05-26 US disclosed
EP-0650473-B1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS UNIV ALBERTA (CA) 1997-05-28 EP disclosed
EP-0650473-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS. UNIV ALBERTA (CA) 1995-05-03 EP disclosed
WO-1994002456-A1 RADIOIMAGING AND RADIOCHEMOTHERAPY PHENOLIC THIOETHER AMINES AND ACYL DERIVATIVES THEREOF FOR USE IN DIAGNOSING AND TREATING PIGMENTATION DISORDERS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 1994-02-03 WO disclosed