SCHEMBL20164227

SCHEMBL20164227

CCCc1ccc(C(=O)OCCN(C)C(=O)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
PHLPP2 Q6ZVD8 1/20 0.47
LMNA P02545 7/20 0.46
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
CYP1A2 P05177 4/20 0.45
MAOA P21397 3/20 0.45
DRD3 P35462 3/20 0.45
HRH3 Q9Y5N1 2/20 0.45
MAPK1 P28482 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
CNR1 P21554 1/20 0.45
DRD4 P21917 1/20 0.45
ACHE P22303 1/20 0.45
HRH2 P25021 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL20164216 0.92 ALDH1A1 (0.52) ALDH1A1MAPTPHLPP2LMNASCN1A
SCHEMBL20164277 0.83 LMNA (0.58) ALDH1A1MAPTPHLPP2LMNASCN1A
SCHEMBL571227 0.81 CA1 (0.63) ALDH1A1LMNACYP1A2MAOAKCNH2
SCHEMBL20164298 0.80 LMNA (0.41) ALDH1A1MAPTLMNASCN1ASCN2A
SCHEMBL18249406 0.79 TSHR (0.42) ALDH1A1MAPTLMNADRD3SIGMAR1
SCHEMBL10949603 0.79 ALDH1A1 (0.68) ALDH1A1MAPTLMNACYP1A2MAPK1
SCHEMBL20164272 0.78 MAPT (0.38) ALDH1A1MAPTLMNACYP1A2MAOA
SCHEMBL16555724 0.77 TSHR (0.49) ALDH1A1MAPTLMNASCN1ASCN2A
SCHEMBL18249399 0.77 MAPT (0.38) ALDH1A1MAPTLMNACYP1A2MAOA
SCHEMBL18249486 0.76 ACHE (0.44) ALDH1A1MAPTLMNACYP1A2MAOA

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