SCHEMBL8636004

SCHEMBL8636004

Cc1cc(C(=O)O)c(C)s1.O=P(Cl)(Cl)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DAO P14920 5/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDR P35968 2/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL287087 0.90 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL11845297 0.75 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL2996683 0.74 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL11848005 0.74 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL11728556 0.74 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL8174209 0.74 DAO (0.63) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL8629968 0.74 DAO (0.63) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL248005 0.73 SMN1; SMN2 (0.43) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL17367390 0.71 PLA2G10 (0.49) ALDH1A1LMNAMAPK1TSHRKDM4E
SCHEMBL10397862 0.71 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1TSHRKDM4E

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-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed