SCHEMBL9539798

SCHEMBL9539798

COC(=O)CN(C)c1ccc(OC)cc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PLA2G2A P14555 3/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL10654450 0.80 MTNR1A (0.44) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL5694511 0.77 SMN1; SMN2 (0.49) KDM4EALDH1A1CA1CA2SMN1; SMN2
SCHEMBL21676556 0.74 KDM4E (0.51) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL28690878 0.73 MAPT (0.50) CYP1A2CYP2C19CYP2C9ALDH1A1CA1
SCHEMBL21464329 0.73 KDM4E (0.51) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL9952903 0.73 KDM4E (0.54) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL382822 0.72 KDM4E (0.66) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL27969533 0.72 KDM4E (0.47) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL22345013 0.71 KDM4E (0.80) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL30009450 0.71 KDM4E (0.80) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9

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 5 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
CN-1005974-B Process for preparing acid indole compounds 沃纳·兰伯特公司 1989-12-06 CN disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
CN-85109061-A The preparation method of novel acid benzazolyl compounds 1987-01-21 CN disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed