SCHEMBL2595397

SCHEMBL2595397

CCC1CC1(C(=O)O)C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
P2RX7 Q99572 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL15862314 0.82 SLC6A2 (0.47) SLC6A2P2RX7MEN1KMT2APOLB
SCHEMBL18530068 0.79 SLC6A2 (0.47) SLC6A2P2RX7MEN1KMT2APOLB
SCHEMBL1536298 0.75 GRM2 (0.35)
SCHEMBL10272322 0.73 CETP (0.54) SLC6A2MEN1KMT2APOLBNAPRT
SCHEMBL307697 0.73 SLC6A2 (0.48) SLC6A2P2RX7MEN1KMT2APOLB
SCHEMBL31552469 0.69 P2RX7 (0.60) SLC6A2P2RX7MEN1KMT2ANPSR1
SCHEMBL4401208 0.69 ALDH1A1 (0.44) P2RX7MEN1KMT2APOLBGAA
SCHEMBL371986 0.69 ALDH1A1 (0.44) P2RX7MEN1KMT2APOLBGAA
SCHEMBL10965027 0.69 TGM2 (0.42) SLC6A2P2RX7MEN1KMT2APOLB
SCHEMBL10202348 0.68 SPHK1 (0.48) SLC6A2MEN1KMT2APOLBNAPRT

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-2011137342-A1 CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES DECIPHERA PHARMACEUTICALS, LLC (US) 2011-11-03 WO disclosed