SCHEMBL8908947

SCHEMBL8908947

COc1cc(OC)cc(OCCN)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TAAR1 Q96RJ0 4/20 0.48
LTA4H P09960 2/20 0.42
PLA2G2A P14555 1/20 0.42
AHR P35869 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13411802 0.87 TAAR1 (0.59) ALDH1A1TAAR1LTA4HPLA2G2ACYP19A1
SCHEMBL7972707 0.85 ALDH1A1 (0.46) ALDH1A1TAAR1PLA2G2AAHR
SCHEMBL14812371 0.84 PLA2G2A (0.57) PLA2G2A
SCHEMBL31447135 0.83 MAPK1 (0.61) ALDH1A1TAAR1CYP1A2MAPK1SMN1; SMN2
SCHEMBL4542738 0.83 MAPK1 (0.61) ALDH1A1TAAR1CYP1A2MAPK1SMN1; SMN2
SCHEMBL182707 0.83 TAAR1 (0.42) ALDH1A1TAAR1LTA4HPLA2G2AAHR
SCHEMBL321542 0.81 TAAR1 (0.60) TAAR1LTA4HPLA2G2ASMN1; SMN2
SCHEMBL10458203 0.81 APP (0.55) ALDH1A1TAAR1AHRCYP1A1CYP1B1
SCHEMBL15295203 0.80 ALDH1A1 (0.46) ALDH1A1TAAR1AHRCYP1A1CYP1B1
SCHEMBL22498320 0.79 ALDH1A1 (0.50) ALDH1A1TAAR1AHRCYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
US-5661148-A ANTIHYPOXIC AGENT FOR RESPIRATORY SYSTEM DISORDER TEIJIN LIMITED (JP) 1997-08-26 US disclosed
US-4289883-A ADRENERGIC BLOCKING AGENTS OF EXCELLENT CARDIOSELECTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-15 US disclosed