SCHEMBL4150207

SCHEMBL4150207

NCc1ccc2cc(CC(=O)O)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
POLB P06746 1/20 0.47
GPR55 Q9Y2T6 1/20 0.41
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10464925 0.87 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL10845026 0.87 CA12 (0.50) CA12CA1CA2CA4CA5A
SCHEMBL2274941 0.81 POLB (0.57) CA12CA1CA9POLBAKR1B1
SCHEMBL30002655 0.81 POLB (0.57) CA12CA1CA9POLBAKR1B1
SCHEMBL29089325 0.80 POLB (0.47) POLBGPR55AKR1B10AKR1B1NPC1
SCHEMBL11128154 0.79 NPC1 (0.55) CA12CA1CA2CA4CA5A
SCHEMBL2403666 0.77 RAB9A (0.59) CA12CA1CA4CA5ACA7
SCHEMBL21121524 0.76 GPR55 (0.66) CA12CA2CA4CA7CA3
SCHEMBL636716 0.76 SLC16A3 (0.64) NPC1RAB9AKMT2AMEN1SLC16A3
SCHEMBL6490439 0.74 AKR1B1 (0.54) CA12CA9AKR1B1NPC1RAB9A

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
US-20090162839-A1 DIAGNOSIS AND PROGNOSIS OF CANCER BASED ON TELOMERE LENGTH AS MEASURED ON CYTOLOGICAL SPECIMENS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-06-25 US disclosed