SCHEMBL23716017

SCHEMBL23716017

NC(=O)C(NC(=O)C1CCCCC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
RECQL P46063 1/20 0.57
HPGD P15428 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX12 P18054 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
SCHEMBL21881533 0.86 LMNA (0.71) LMNARECQLHPGDHDAC3HDAC1
SCHEMBL23619652 0.83 F11 (0.57) LMNA
SCHEMBL21881532 0.81 LMNA (0.63) LMNARECQLPOLBALDH1A1
SCHEMBL15443325 0.80 RECQL (0.68) LMNARECQLHPGDPOLBSMN1; SMN2
SCHEMBL9912035 0.79 LMNA (0.60) LMNARECQLPOLBSMN1; SMN2MEN1
SCHEMBL6391981 0.79 CNR1 (0.53) LMNAALDH1A1
SCHEMBL21444578 0.78 RECQL (0.91) LMNARECQLHPGDPOLBSMN1; SMN2
SCHEMBL517633 0.78 RECQL (0.91) LMNARECQLHPGDPOLBSMN1; SMN2
SCHEMBL9927461 0.78 RECQL (0.91) LMNARECQLHPGDPOLBSMN1; SMN2
SCHEMBL9282167 0.78 GAA (0.51) LMNAHPGDMEN1KMT2AEPHX2

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed