SCHEMBL19212499

SCHEMBL19212499

Cc1ccccc1C1CC(=O)Oc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.72
MAPT P10636 9/20 0.72
MEN1 O00255 8/20 0.72
KMT2A Q03164 8/20 0.72
HPGD P15428 4/20 0.72
USP2 O75604 1/20 0.72
THRB P10828 1/20 0.72
ALDH2 P05091 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6773489 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9223130 0.79 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12200316 0.79 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14852665 0.79 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12200287 0.79 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8080906 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL657344 0.75 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14047016 0.75 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL27030625 0.74 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29629334 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD

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-2017137955-A1 NOVEL (R) AND RAC 3-(2-(ALLYLOXY)-5-METHYLPHENYL)-N,N-DIISOPROPYL-3- PHENYLPROPAN-1-AMINE AND ITS USE FOR SYNTHESIS OF (R) AND RAC-2-(3- (DIISOPROPYLAMINO)-1-PHENYLPROPYL)-4-(HYDROXYMETHYL)PHENOL CELESTIS PHARMACEUTICALS PVT. LTD. (IN) 2017-08-17 WO disclosed