SCHEMBL20164204

SCHEMBL20164204

CCCc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2N(C)C(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 4/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESRRG P62508 1/20 0.37
NCEH1 Q6PIU2 2/20 0.36
PLK1 P53350 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL20164275 0.89 ABCB1 (0.40) NPSR1ABCB1LMNAMAPTRXRA
SCHEMBL20164213 0.88 KMT2A (0.41) NPSR1LMNAMAPTRXRARXRB
SCHEMBL20164219 0.88 MAPT (0.47) NPSR1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL20164228 0.86 ABCB1 (0.35) NPSR1ABCB1LMNAMAPTSMN1; SMN2
SCHEMBL20164244 0.82 SMN1; SMN2 (0.41) NPSR1LMNAMAPTSMN1; SMN2PLK1
SCHEMBL20164235 0.82 LMNA (0.43) NPSR1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL20164231 0.81 ELANE (0.41) NPSR1LMNAMAPTRXRARXRB
SCHEMBL20164241 0.81 TSHR (0.43) NPSR1LMNAMAPTSMN1; SMN2TSHR
SCHEMBL20164253 0.79 KMT2A (0.40) NPSR1LMNAMAPTRXRARXRB
SCHEMBL20164215 0.78 MAPT (0.46) NPSR1MAPTSMN1; SMN2TSHRNPC1

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