SCHEMBL7704428

SCHEMBL7704428

C=CCc1cccc(C(=O)O)c1C(CC=C)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.43
GAA P10253 9/20 0.43
SI P14410 9/20 0.43
MGAM2 Q2M2H8 9/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL6799478 0.83 MGAM (0.48) MGAMGAASIMGAM2HDAC3
SCHEMBL2465013 0.73 SLC6A2 (0.57) MGAMGAASIMGAM2HDAC3
SCHEMBL89060 0.69 FOLH1 (0.55) GAAHDAC8KMT2AMAPTALDH1A1
Benzene SCHEMBL27083018 0.69 FOLH1 (0.55) GAAHDAC8KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL7974299 0.68 FOLH1 (0.53) GAAKMT2AMAPTALDH1A1HTT
Potassium SCHEMBL16531822 0.68 FOLH1 (0.53) GAAHDAC8KMT2AMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL16531812 0.68 FOLH1 (0.53) GAAHDAC8KMT2AMAPTALDH1A1
SCHEMBL11094883 0.68 FOLH1 (0.53) GAAHDAC8KMT2AMAPTALDH1A1
Phosphine SCHEMBL28264956 0.68 FOLH1 (0.53) GAAHDAC8KMT2AMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL9940062 0.68 FOLH1 (0.53) GAAHDAC8KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO claimed
WO-2002046153-A2 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST FINETECH LABORATORIES LTD. (IL) 2002-06-13 WO disclosed