SCHEMBL9871522

SCHEMBL9871522

C=C(CC=C(CCCN(C)C)C(=O)O)C(=O)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 2/20 0.34
LSS P48449 1/20 0.34
ALDH1A1 P00352 2/20 0.33
APEX1 P27695 3/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL11260774 0.95 TSHR (0.44) DNM1TSHRHCAR2LSSAPEX1
SCHEMBL9640428 0.95 TSHR (0.44) DNM1TSHRHCAR2LSSAPEX1
SCHEMBL3185601 0.92 DNM1 (0.34) DNM1TSHRHPGDATMHCAR2
SCHEMBL16178720 0.91 TSHR (0.41) TSHRHPGDATMHCAR2ALDH1A1
SCHEMBL11137264 0.89 DNM1 (0.52) DNM1TSHRLSSAPEX1THRA
SCHEMBL9952147 0.84 TSHR (0.45) DNM1TSHRHPGDATMHCAR2
SCHEMBL1403008 0.82 KDM4A (0.33) APEX1
SCHEMBL15772796 0.82 DNM1 (0.42) DNM1TSHRAPEX1KDM4ELMNA
SCHEMBL8470039 0.81 CHRM1 (0.38) DNM1TSHRALDH1A1SMN1; SMN2KDM4E
SCHEMBL4162830 0.77 TSHR (0.54) DNM1TSHRHPGDATMHCAR2

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
EP-2939665-B1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF HIV INFECTIONS OTKRYTOE AKTSIONERNOE OBSCHESTVO FARMASYNTEZ (RU) 2019-03-20 EP disclosed
EP-2939665-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF HIV INFECTIONS Otkrytoe Aktsionernoe Obschestvo "Farmasyntez" (RU) 2015-11-04 EP disclosed
US-20150297526-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF HIV INFECTION OTKRYTOE AKTSIONERNOE OBSCHESTVO "FARMASYNTEZ" (RU) 2015-10-22 US disclosed
US-4985160-A ACRYLIC ESTER POLYMERS WITH AMINE CONTAINING SIDE BRANCHES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-15 US disclosed