SCHEMBL11085508

SCHEMBL11085508

CCOC(=O)c1oc(-c2ccc(Cl)cc2)cc(=O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.48
GAA P10253 2/20 0.47
TARBP2 Q15633 1/20 0.46
MAOB P27338 2/20 0.45
ALOX5 P09917 2/20 0.44
ALPL P05186 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11083977 0.90 TNKS (0.50) TNKSTARBP2MAOBNPC1RAB9A
SCHEMBL11089384 0.87 TNKS (0.53) TNKSTARBP2NPC1ALDH1A1KMT2A
SCHEMBL11085395 0.81 HPGD (0.49) TNKSGAAALOX5NPC1RAB9A
SCHEMBL11083211 0.80 NPC1 (0.50) TNKSNPC1RAB9AALDH1A1HTT
SCHEMBL11085385 0.77 TNKS (0.53) TNKSTARBP2NPC1ALDH1A1KMT2A
SCHEMBL11088040 0.75 MAOB (0.54) TNKSGAATARBP2MAOBALOX5
SCHEMBL11086127 0.75 GABRP (0.42) TNKSGAANPC1ALDH1A1HSD17B10
SCHEMBL3105153 0.75 NPC1 (0.67) GAATARBP2ALOX5ALPLNPC1
SCHEMBL3788451 0.74 SMN1; SMN2 (0.47) TNKSGAATARBP2MAOBALOX5
SCHEMBL11087831 0.74 GABRP (0.41) TNKSGAANPC1ALDH1A1HSD17B10

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
US-4471129-A ANTIHISTAMINES LILLY INDUSTRIES LIMITED (GB) 1984-09-11 US disclosed
US-4448787-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1984-05-15 US disclosed
US-4304728-A 2,6-DIHYDROXY-2,5-HEXADIENOIC ACID DERIVATIVES, ANTIHISTAMINE INTERMEDIATES LILLY INDUSTRIES LIMITED (GB) 1981-12-08 US disclosed