SCHEMBL12396191

SCHEMBL12396191

COC(=O)C(=O)CCc1ccccc1CCC(=O)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TSHR P16473 1/20 0.41
PLAAT3 P53816 2/20 0.40
PLAAT5 Q96KN8 2/20 0.40

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
SCHEMBL7058696 0.89 NOTUM (0.47) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL7061807 0.88 TAAR1 (0.47) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL7060616 0.88 MTNR1A (0.58) LMNAMTNR1AMTNR1BTSHR
SCHEMBL6172613 0.85 MTNR1A (0.52) MTNR1A
SCHEMBL7060894 0.85 NPSR1 (0.54) ALDH1A1TSHR
SCHEMBL991969 0.82 ALDH1A1 (0.57) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL10438855 0.79 CYP4F2 (0.58) ALDH1A1LMNACYP4F2CYP4A11MTNR1A
SCHEMBL313265 0.77 FFAR1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7059136 0.77 LMNA (0.45) LMNAMTNR1A
SCHEMBL7060990 0.77 SMN1; SMN2 (0.45) ALDH1A1LMNAMTNR1A

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
US-7985771-B2 Skin disorders; aging resistance MONSANTO TECHNOLOGY LLC (US) 2011-07-26 US disclosed