SCHEMBL536094

SCHEMBL536094

COCc1cc(C(=O)O)ccc1-c1ccccc1Cl.COCc1cc(C(=O)O)ccc1N1CCCC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKG1 Q13976 1/20 0.38
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
BRD4 O60885 2/20 0.36
BRPF1 P55201 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
NR1I2 O75469 2/20 0.36
SMARCA2 P51531 2/20 0.36
SMARCA4 P51532 2/20 0.36
PBRM1 Q86U86 2/20 0.36
NR1H2 P55055 1/20 0.36
PLAUR Q03405 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HPGD P15428 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL536095 0.92 BRD4 (0.35) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL410352 0.87 GFER (0.42) PRKG1BRD4BRPF1POLBHPGD
SCHEMBL536674 0.87 S1PR1 (0.39) POLBTSHRNR1I2SMARCA2SMARCA4
SCHEMBL534781 0.86 S1PR1 (0.40) NR1H4
SCHEMBL408083 0.84 GFER (0.46) POLBPLAURHPGDKDM4EGAA
SCHEMBL406660 0.82 NR4A2 (0.46) NPC1RAB9APOLBTSHRHPGD
SCHEMBL1479064 0.75 GFER (0.46) POLBTSHRHPGDKDM4EALDH1A1
SCHEMBL26219182 0.73 NR4A2 (0.46) NPC1RAB9APOLBTSHRHPGD
SCHEMBL406852 0.72 TTR (0.45) RAB9APOLBTSHRHPGDKDM4E
SCHEMBL406995 0.72 S1PR1 (0.49) NPC1RAB9APOLBTSHRHPGD

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
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed