SCHEMBL9932429

SCHEMBL9932429

O=C(OO[PH](=O)OOC(=O)c1ccc(CO)cc1)c1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
CYP4A11 Q02928 3/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
F2 P00734 2/20 0.39
LMNA P02545 1/20 0.39
CYP4F2 P78329 2/20 0.39
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL9932432 0.87 PRSS1 (0.42) PRSS1PRSS2PRSS3HPGDSMN1; SMN2
SCHEMBL6661330 0.86 F2 (0.52) PRSS1PRSS2PRSS3HPGDSMN1; SMN2
SCHEMBL9932431 0.82 PRSS1 (0.45) PRSS1PRSS2PRSS3HPGDSMN1; SMN2
SCHEMBL27541699 0.77 HPGD (0.47) PRSS1PRSS2PRSS3HPGDSMN1; SMN2
SCHEMBL420256 0.76 TDP1 (0.57) HPGDSMN1; SMN2PKMMEN1KMT2A
SCHEMBL8454935 0.74 KMT2A (0.53) PRSS1PRSS2PRSS3HPGDSMN1; SMN2
SCHEMBL28631592 0.74 LOXL2 (0.68) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL63426 0.74 LOXL2 (0.68) HPGDSMN1; SMN2ADRB2ADRB1ADRB3
SCHEMBL28050323 0.74 HPGD (0.45) PRSS1PRSS2PRSS3HPGDSMN1; SMN2
SCHEMBL5834013 0.74 HPGD (0.45) PRSS1PRSS2PRSS3HPGDSMN1; SMN2

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
US-20140363864-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF 1,4-CYCLOHEXANEDIMETHANOL GENOMATICA, INC. (US) 2014-12-11 US disclosed
EP-2652141-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF 1.4- CYCLOHEXANEDIMETHANOL Genomatica, Inc. (US) 2013-10-23 EP disclosed
US-20120156740-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF 1,4-CYCLOHEXANEDIMETHANOL GENOMATICA, INC. (US) 2012-06-21 US disclosed
WO-2012082978-A1 MICROORGANISMS AND METHODS FOR THE PRODUCTION OF 1.4- CYCLOHEXANEDIMETHANOL GENOMATICA, INC. (US) 2012-06-21 WO disclosed