SCHEMBL9440261

SCHEMBL9440261

CCC(CC)(c1ccc(C(=O)c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SRD5A2 P31213 2/20 0.44
ELANE P08246 2/20 0.44
LMNA P02545 3/20 0.43
HDAC1 Q13547 1/20 0.43
FFAR1 O14842 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL258471 0.85 MEN1 (0.53) ALDH1A1MEN1KMT2ASRD5A2HDAC1
Hydrogen Peroxide SCHEMBL8609891 0.84 PTPN1 (0.52) ALDH1A1MEN1KMT2AHDAC1SMN1; SMN2
SCHEMBL1556937 0.84 PTPN1 (0.52) ALDH1A1MEN1KMT2AHDAC1SMN1; SMN2
Hydrochloric Acid SCHEMBL258558 0.83 MEN1 (0.51) ALDH1A1MEN1KMT2ASRD5A2HDAC1
SCHEMBL7870277 0.82 PGK1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL6421413 0.81 MEN1 (0.38) ALDH1A1MEN1KMT2AHDAC1
SCHEMBL258557 0.80 MEN1 (0.37) ALDH1A1MEN1KMT2AHDAC1
SCHEMBL6421418 0.80 EPHX2 (0.45) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL16239050 0.78 ALDH1A1 (0.54) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL272507 0.77 MAPT (0.54) ALDH1A1HPGDRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526488-B1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER (US) 1994-11-30 EP disclosed
US-5326905-A Benzylphosphonic acid tyrosine kinase inhibitors PFIZER INC. (US) 1994-07-05 US disclosed
EP-0526488-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS. PFIZER (US) 1993-02-10 EP disclosed
WO-1991015495-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed