SCHEMBL8389745

SCHEMBL8389745

CC(C)(N)c1cc(Cl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.48
▸ ALOX15 P16050 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HSP90AA1 P07900 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.42

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
SCHEMBL8392107 0.83 CYP3A4 (0.46) HSD17B10ALOX15ALDH1A1HPGDALOX12
SCHEMBL11317922 0.83 HSD17B10 (0.50) HSD17B10ALOX15ALDH1A1HPGDALOX12
SCHEMBL768507 0.83 ALDH1A1 (0.61) HSD17B10ALOX15ALDH1A1HPGDALOX12
SCHEMBL28310444 0.81 NR1H4 (0.43) HSD17B10ALOX15ALDH1A1HPGDALOX12
SCHEMBL818330 0.81 HSD17B10 (0.48) HSD17B10ALOX15ALDH1A1HPGDALOX12
SCHEMBL16579383 0.78 TSHR (0.44) HSD17B10ALOX15ALDH1A1SMN1; SMN2MAPK1
SCHEMBL30017641 0.78 TSHR (0.44) HSD17B10ALOX15ALDH1A1SMN1; SMN2MAPK1
SCHEMBL8389819 0.78 HSD17B10 (0.44) HSD17B10ALOX15ALDH1A1HPGDALOX12
SCHEMBL16579355 0.77 CYP3A4 (0.50) ALOX15ALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL3338261 0.77 PDE10A (0.50) HSD17B10ALOX15ALDH1A1HPGDSMN1; SMN2

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
EP-0750607-B1 2-(AMINOALKOXY)PHENYLALKYLAMINES WITH ANTIINFLAMMATORY ACTIVITY KNOLL AG (DE) 1999-05-06 — — EP disclosed
US-5736568-A ANTIALLERGENS; IMMUNOMODULANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-04-07 — — US disclosed
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