SCHEMBL4739378

SCHEMBL4739378

CC(=COC(C)Oc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
AKR1C3 P42330 1/20 0.43
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
APEX1 P27695 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL6570931 0.79 MTNR1A (0.42) MTNR1AMTNR1BAKR1C3GAACYP1A2
SCHEMBL15257 0.77 MTNR1A (0.46) MTNR1AMTNR1BAKR1C3GAACYP1A2
Bicarbonate SCHEMBL3270191 0.77 GAA (0.52) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL821031 0.76 AKR1C3 (0.50) MTNR1AMTNR1BAKR1C3GAACYP2C9
SCHEMBL156818 0.76 AKR1C3 (0.50) MTNR1AMTNR1BAKR1C3GAACYP2C9
SCHEMBL3364531 0.76 KDM4E (0.41) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL9338801 0.75 AKR1C3 (0.46) AKR1C3CYP2C9APEX1KMT2AALDH1A1
SCHEMBL316898 0.74 MTNR1A (0.50) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL352588 0.74 KDM4E (0.42) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL3266857 0.73 MTNR1A (0.43) MTNR1AMTNR1BAKR1C3GAACYP1A2

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
WO-2008079519-A1 PHOTOSENSITIVE COMPOSITION WITH LOW YELLOWING UNDER UV-LIGHT AND SUNLIGHT EXPOSURE CLAST TRADING LIMITED (CN) 2008-07-03 WO claimed
US-20070099119-A1 Photosensitive composition with low yellowing under UV-light and sunlight exposure CHEMENCE, INC. 2007-05-03 US claimed