SCHEMBL2487599

SCHEMBL2487599

C=CCc1cc(C(=O)O)c(N)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.49
▸ PTPN6 P29350 2/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ FOLH1 Q04609 1/20 0.46
▸ IKBKB O14920 4/20 0.41
▸ CHUK O15111 3/20 0.41
▸ IKBKE Q14164 1/20 0.41
▸ PKMYT1 Q99640 1/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL2454712 0.77 XDH (0.44) PTPN1PTPN6PTPN2PTGS2ALOX15
SCHEMBL11817910 0.75 GABRA1 (0.52) PTPN1PTPN6PTPN2MEN1KMT2A
SCHEMBL12292220 0.75 PTPN1 (0.66) PTPN1PTPN6PTPN2IKBKBCHUK
Allyl Alcohol SCHEMBL28643027 0.75 HNF4A (0.51) PTPN1PTPN6PTPN2FOLH1ALOX15
SCHEMBL31751571 0.74 HDAC7 (0.57) PTPN1PTPN6PTPN2FOLH1ALOX15
SCHEMBL17292776 0.73 MEN1 (0.50) PTPN1PTPN6PTPN2FOLH1PTGS2
SCHEMBL8731770 0.73 LTB4R2 (0.54) FOLH1LTB4R2
SCHEMBL5832225 0.72 ALDH1A1 (0.66) ALOX15MEN1KMT2AKDM4EMAPT
SCHEMBL9273645 0.72 MAPT (0.56) FOLH1MEN1KMT2AKDM4EMAPT
Acetic Acid SCHEMBL27580174 0.71 MEN1 (0.44) FOLH1PTGS2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160314241-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2016-10-27 — — US disclosed
US-9405885-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2016-08-02 — — US disclosed
EP-2581849-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2013-04-17 — — EP disclosed
US-20110237458-A1 DRUG DISCOVERY METHOD Keddem Bioscience Ltd. (IL) 2011-09-29 — — US disclosed
US-8019550-B2 Drug discovery method Keddem Bioscience Ltd. (IL) 2011-09-13 — — US disclosed
EP-1540329-A4 DRUG DISCOVERY METHOD KEDDEM BIO SCIENCE LTD (IL) 2009-06-10 — — EP disclosed
US-20050277117-A1 Drug discovery method KEDDEM BIO-SCIENCE LTD. (IL) 2005-12-15 — — US disclosed
EP-1540329-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2005-06-15 — — EP disclosed
WO-2004010136-A1 DRUG DISCOVERY METHOD KEDDEM BIO-SCIENCE LTD. (IL) 2004-01-29 — — WO disclosed
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