SCHEMBL19505982

SCHEMBL19505982

COCOc1ccccc1C(=O)N1CCCC[C@H]1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
RAB9A P51151 2/20 0.46
FKBP1A P62942 2/20 0.46
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
ALOX5 P09917 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL19505771 0.97 TSHR (0.52) TSHRMEN1KMT2ATP53CNR1
SCHEMBL19475012 0.90 MEN1 (0.58) TSHRMEN1KMT2ATP53ALDH1A1
SCHEMBL19475014 0.90 MEN1 (0.58) TSHRMEN1KMT2ATP53ALDH1A1
SCHEMBL19475145 0.86 MEN1 (0.53) TSHRMEN1KMT2ATP53ALDH1A1
SCHEMBL19475146 0.86 MEN1 (0.53) TSHRMEN1KMT2ATP53ALDH1A1
SCHEMBL10724171 0.85 CNR1 (0.53) TSHRMEN1KMT2ACNR1CNR2
SCHEMBL20366927 0.82 TP53 (0.54) TSHRMEN1KMT2ATP53CNR1
SCHEMBL13469107 0.81 CNR1 (0.50) TSHRMEN1KMT2ACNR1CNR2
SCHEMBL15614466 0.79 KMT2A (0.52) TSHRMEN1KMT2ACNR1CNR2
SCHEMBL19505782 0.78 CNR2 (0.50) TSHRMEN1KMT2ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 WO disclosed