SCHEMBL5535261

SCHEMBL5535261

CC(=CC1CCC(C(C)(C)C)CC1)C(=O)O.CC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
DHODH Q02127 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
GAA P10253 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
SCHEMBL22799032 0.84 EPHX1 (0.37) GLAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1450330 0.84 EPHX1 (0.37) GLAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL161506 0.84 EPHX1 (0.37) GLAMEN1KMT2ASMN1; SMN2ALDH1A1
Bicarbonate SCHEMBL28225812 0.82 EPHX1 (0.36) GLAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1089028 0.78 AKR1C3 (0.47) AKR1C3GLAMEN1KMT2AHPGD
SCHEMBL41906 0.75 AKR1C3 (1.00) AKR1C3GLAMEN1KMT2APKM
SCHEMBL37034 0.75 AKR1C3 (1.00) AKR1C3GLAMEN1KMT2APKM
SCHEMBL581982 0.75 AKR1C3 (1.00) AKR1C3GLAMEN1KMT2APKM
SCHEMBL16568719 0.75 AKR1C3 (1.00) AKR1C3GLAMEN1KMT2APKM
SCHEMBL17784191 0.75 ALDH1A1 (0.32) GLAALDH1A1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857520-A1 COMPOSITION FOR HEAT-STORAGE OBJECT FORMATION, HEAT-STORAGE OBJECT, AND PROCESS FOR PRODUCING HEAT-STORAGE OBJECT SK Kaken Co., Ltd. (JP) 2007-11-21 EP disclosed