SCHEMBL3320296

SCHEMBL3320296

COc1cc(C=O)ccc1C(=O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
TSHR P16473 1/20 0.56
HPGD P15428 2/20 0.56
TRIM24 O15164 1/20 0.56
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
AOX1 Q06278 1/20 0.51
FDPS P14324 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CAPN1 P07384 1/20 0.46
PARP1 P09874 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TTR P02766 1/20 0.45
CYP2C9 P11712 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL31402646 0.83 ALDH1A1 (0.59) ALDH1A1TSHRHPGDTDP1FDPS
SCHEMBL3909451 0.81 CYP2C9 (0.62) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL7033712 0.81 ALDH1A1 (0.61) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL359439 0.80 ALDH1A1 (0.63) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL15652453 0.80 ALDH1A1 (0.65) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL14519861 0.78 NPC1 (0.60) ALDH1A1TSHRHPGDSMN1; SMN2MAPT
SCHEMBL25214183 0.77 ALDH1A1 (0.56) ALDH1A1TSHRHPGDTRIM24ALDH5A1
SCHEMBL14099675 0.77 FLT1 (0.51) ALDH1A1MAPTRAB9AABCG2
SCHEMBL3484524 0.77 ALDH1A1 (0.47) ALDH1A1HPGDTDP1SMN1; SMN2MAPT
SCHEMBL29688832 0.77 ALDH1A1 (0.47) ALDH1A1HPGDTDP1SMN1; SMN2MAPT

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
EP-2349551-B2 BENEFIT AGENT CONTAINING DELIVERY PARTICLE PROCTER & GAMBLE (US) 2023-07-26 EP disclosed
EP-2349551-B1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE PROCTER & GAMBLE (US) 2016-03-30 EP disclosed
US-9243215-B2 Benefit agent containing delivery particle THE PROCTER & GAMBLE COMPANY (US) 2016-01-26 US disclosed
US-20100119679-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY 2010-05-13 US disclosed