SCHEMBL4634853

SCHEMBL4634853

CC(C)CCCC(C(=O)O)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(N(C)C)cc4)cc3)S2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.35
CCR5 P51681 1/20 0.35
ALOX5 P09917 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
IDE P14735 1/20 0.35
PTPN1 P18031 3/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
TNNC1 P63316 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MAOA P21397 1/20 0.30

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
SCHEMBL4634855 1.00 ACKR3 (0.35) ACKR3CCR5ALOX5MEN1KMT2A
SCHEMBL4120631 0.80
SCHEMBL4133696 0.78 MEN1 (0.37) ACKR3CCR5ALOX5MEN1KMT2A
SCHEMBL4133702 0.78 MEN1 (0.37) ACKR3CCR5ALOX5MEN1KMT2A
SCHEMBL4141062 0.78 PTPN1 (0.42) ALOX5MEN1KMT2APTPN1RAB9A
SCHEMBL4141057 0.78 PTPN1 (0.42) ALOX5MEN1KMT2APTPN1RAB9A
SCHEMBL4134054 0.77 ALOX5 (0.37) ALOX5MEN1KMT2APTPN1RAB9A
SCHEMBL4134057 0.77 ALOX5 (0.37) ALOX5MEN1KMT2APTPN1RAB9A
SCHEMBL4125487 0.76 ALOX5 (0.38) ALOX5MEN1KMT2ARAB9ACISD1
SCHEMBL4125493 0.76 ALOX5 (0.38) ALOX5MEN1KMT2ARAB9ACISD1

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed