SCHEMBL9179652

SCHEMBL9179652

CC(C)(C)C1(c2ccc(C(=O)Nc3ccccc3)cc2)OCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KCNK9 Q9NPC2 1/20 0.48
KMT2A Q03164 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOB P27338 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9177239 0.79 RXRA (0.47) POLBSMN1; SMN2PKMALDH1A1HPGD
SCHEMBL9179663 0.78 MEN1 (0.49) KMT2ARAB9ANPC1POLBSMN1; SMN2
SCHEMBL11736293 0.78 SMN1; SMN2 (0.40) KMT2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL18086910 0.75 OPRM1 (0.37) HDAC2POLBSMN1; SMN2ALDH1A1
SCHEMBL9180083 0.75 NOS1 (0.40) KMT2APOLBMEN1ALDH1A1MAPT
SCHEMBL9278182 0.75 HDAC3 (0.39) HDAC2HDAC8HDAC6KMT2ARAB9A
SCHEMBL1315526 0.73 PTPN1 (0.87) PTPN1CACNA1BAPBA1HDAC2HDAC8
SCHEMBL4250752 0.73 KCNK9 (0.81) PTPN1HDAC2HDAC8HDAC6KCNK9
SCHEMBL9179713 0.73 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGD
SCHEMBL1128154 0.72 KMT2A (0.78) PTPN1CACNA1BAPBA1HDAC2HDAC8

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
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US claimed
US-5378728-A Benzoic acid derivatives as antidiabetic agents SANDOZ LTD. (CH) 1995-01-03 US disclosed