SCHEMBL20164238

SCHEMBL20164238

CCOC(=O)Nc1cccc2cccc(OC(=O)c3ccccc3)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL20164252 0.90 KMT2A (0.51) ALDH1A1HPGDKMT2ACYP1A2CYP2C9
SCHEMBL20164222 0.87 KMT2A (0.54) ALDH1A1HPGDKMT2ACYP1A2CYP2C9
SCHEMBL20164221 0.82 HPGD (0.52) ALDH1A1HPGDKMT2ACYP1A2CYP2C9
SCHEMBL19656079 0.82 KMT2A (0.58) HPGDKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL15233903 0.81 LMNA (0.48) ALDH1A1KMT2ASLC6A3SMN1; SMN2LMNA
SCHEMBL15535035 0.80 TSHR (0.53) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL18249430 0.79 KMT2A (0.56) ALDH1A1HPGDKMT2ACYP1A2CYP2C9
SCHEMBL18249405 0.78 KMT2A (0.67) ALDH1A1HPGDKMT2ACYP1A2CYP2C9
SCHEMBL18249387 0.77 ALDH1A1 (0.52) ALDH1A1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL12355077 0.77 KMT2A (0.61) KMT2ASLC6A3SMN1; SMN2LMNAGAA

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