SCHEMBL9230928

SCHEMBL9230928

O=C(O)CN(Cc1ccccc1)c1ccccc1.O=C(O)CNCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.42
NR3C1 P04150 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTPN1 P18031 2/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
REN P00797 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5189401 0.86 TSHR (0.57) TSHRNR3C1CRHBPCRHR2PTPN1
SCHEMBL5983797 0.81 TDP1 (0.42) TSHRALDH1A1NPSR1NPC1GLA
SCHEMBL156664 0.80 MEN1 (0.56) RECQLALDH1A1HDAC8HDAC6SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27486735 0.79 MEN1 (0.54) RECQLALDH1A1HDAC8HDAC6
Hydrochloric Acid SCHEMBL1252387 0.79 MEN1 (0.54) RECQLALDH1A1HDAC8HDAC6
SCHEMBL11794847 0.76 TSHR (0.53) TSHRNR3C1CRHBPCRHR2PTPN1
Hydrochloric Acid SCHEMBL27715118 0.76 GAA (0.51) TSHRALDH1A1CYP2C19HDAC6HTT
SCHEMBL28565303 0.75 CYP2C19 (0.71) TSHRNR3C1CRHBPCRHR2CNR2
SCHEMBL10906279 0.75 NR3C1 (0.49) TSHRNR3C1PTPN1CNR2CYP2C19
SCHEMBL264790 0.75 PTPN1 (0.52) TSHRNR3C1CRHBPCRHR2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672669-A1 Process for the preparation of clavulanic acid SMITHKLINE BEECHAM PLC (GB) 1995-09-20 EP disclosed