SCHEMBL9538849

SCHEMBL9538849

CCN(CC)c1c(C(=O)O)n(-c2ccccc2)c2ccc(OC)cc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
EDNRA P25101 7/20 0.53
MAPT P10636 4/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.45
PPARG P37231 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EDNRB P24530 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
FOLH1 Q04609 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
SCHEMBL22760065 0.83 JAK2 (0.44) KDM4EEDNRAMAPTMEN1KMT2A
SCHEMBL22760471 0.83 FOLH1 (0.44) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL22760442 0.83 EDNRA (0.50) KDM4EEDNRAMAPTMEN1KMT2A
SCHEMBL22747838 0.82 NOTUM (0.42) KDM4EEDNRAMEN1KMT2AALDH1A1
SCHEMBL22760067 0.82 EDNRA (0.41) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9535709 0.81 KDM4E (0.42) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL10761647 0.80 KDM4E (0.64) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9146455 0.80 MEN1 (0.58) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL22747888 0.80 FOLH1 (0.42) EDNRAMAPTALDH1A1TP53SMN1; SMN2
SCHEMBL22760346 0.80 FOLH1 (0.45) EDNRAMAPTALDH1A1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed