SCHEMBL20164248

SCHEMBL20164248

CCOC(=O)N(CC)c1ccccc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 2/20 0.38

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
SCHEMBL18249477 0.85 ELANE (0.47) HSD17B10ALDH1A1TSHRMEN1KMT2A
SCHEMBL18249465 0.85 KMT2A (0.45) HSD17B10KDM4ENPC1RAB9AALDH1A1
SCHEMBL20164280 0.84 TSPO (0.44) PTGS2HSD17B10KDM4ENPC1RAB9A
SCHEMBL18249419 0.81 KDM4E (0.48) HSD17B10KDM4ENPC1RAB9AALDH1A1
SCHEMBL20164247 0.80 KMT2A (0.45) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL20164266 0.80 SMN1; SMN2 (0.41) HSD17B10KDM4ENPC1RAB9AALDH1A1
SCHEMBL6901561 0.80 TDP1 (0.45) PTGS2HSD17B10KDM4ENPC1RAB9A
SCHEMBL6905862 0.79 TDP1 (0.44) PTGS2HSD17B10KDM4ENPC1RAB9A
SCHEMBL20164226 0.79 TSHR (0.42) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL20164208 0.78 LMNA (0.47) KDM4EALDH1A1HPGDMEN1KMT2A

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