SCHEMBL20164229

SCHEMBL20164229

CCCc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2NC(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 2/20 0.39
PLK1 P53350 1/20 0.39
ABCB1 P08183 1/20 0.39
GAA P10253 1/20 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
SCHEMBL20164278 0.88 KMT2A (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20164276 0.88 MAPT (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20164293 0.86 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL20164263 0.82 KMT2A (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20164279 0.81 MAPT (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20164237 0.81 KMT2A (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20164261 0.80 MAPT (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL20164275 0.77 ABCB1 (0.40) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL20164204 0.77 NPSR1 (0.39) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL16555715 0.76 NPSR1 (0.41) KMT2ALMNAALDH1A1NPSR1PLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107580607-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2019-09-27 CN disclosed
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