SCHEMBL20164221

SCHEMBL20164221

CCOC(=O)Nc1cc2ccccc2cc1OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAOB P27338 1/20 0.52
KMT2A Q03164 5/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
RAB9A P51151 3/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NPC1 O15118 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 3/20 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
SCHEMBL20164233 0.90 KMT2A (0.49) HPGDALDH1A1MAOBKMT2ACYP1A2
SCHEMBL20164222 0.84 KMT2A (0.54) HPGDALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL20164238 0.82 ALDH1A1 (0.56) HPGDALDH1A1MAOBKMT2ACYP1A2
SCHEMBL20164276 0.81 MAPT (0.48) HPGDALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL20164217 0.78 KDM4E (0.55) HPGDALDH1A1KMT2ARAB9AMAPK1
SCHEMBL20164271 0.78 ALDH1A1 (0.60) HPGDALDH1A1MAOBKMT2ACYP1A2
SCHEMBL18249480 0.76 SMN1; SMN2 (0.55) HPGDALDH1A1MAOBKMT2ACYP1A2
SCHEMBL18249430 0.75 KMT2A (0.56) HPGDALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL3829756 0.75 ALDH1A1 (0.60) HPGDALDH1A1MAOBKMT2ACYP1A2
SCHEMBL8304601 0.75 ALDH1A1 (0.60) HPGDALDH1A1MAOBKMT2ACYP1A2

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
EP-3298048-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-07-03 EP disclosed
US-10221256-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-03-05 US disclosed
US-20180142044-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 US disclosed