SCHEMBL9938909

SCHEMBL9938909

[O]C(=O)c1ccccc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
APOBEC3G Q9HC16 1/20 0.43
FOLH1 Q04609 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
GLS O94925 1/20 0.38
AKR1B1 P15121 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PARP1 P09874 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9668760 0.83 GAA (0.55) HPGDLMNAGAAL3MBTL1NPC1
SCHEMBL374696 0.81 FOLH1 (0.61) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL49956 0.81 TSHR (0.50) HPGDLMNANPC1TP53RAB9A
SCHEMBL8768476 0.79 FOLH1 (0.59) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL873231 0.79 HPGD (0.52) HPGDLMNAGAAL3MBTL1NPC1
SCHEMBL6043201 0.79 FOLH1 (0.59) HPGDLMNAGAAL3MBTL1TP53
SCHEMBL3135001 0.79 LMNA (0.52) HPGDLMNAGAAL3MBTL1NPC1
SCHEMBL12765935 0.79 HPGD (0.52) HPGDLMNAGAAL3MBTL1NPC1
SCHEMBL619877 0.79 ALDH1A1 (0.52) HPGDLMNAGAAL3MBTL1NPC1
SCHEMBL11754063 0.79 HPGD (0.52) HPGDLMNAGAAL3MBTL1NPC1

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