SCHEMBL8749753

SCHEMBL8749753

CCN(CC)C(=O)COc1[c]cccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 1/20 0.51
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPM8 Q7Z2W7 6/20 0.45
ALDH1A1 P00352 2/20 0.44
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HTT P42858 1/20 0.39
TSPO P30536 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3120409 0.85 LMNA (0.44) RAB9ANPC1TSHRALDH1A1TSPO
SCHEMBL8749612 0.84 SMN1; SMN2 (0.51) RAB9ANPC1GAAKDM4EALDH1A1
SCHEMBL3123216 0.84 NPC1 (0.52) RAB9ANPC1TSHRGAAALDH1A1
SCHEMBL1444265 0.79 ALDH1A1 (0.48) RAB9ANPC1TSHRGAAKDM4E
SCHEMBL7048126 0.79 HSD11B1 (0.35) RAB9ANPC1TSHRALDH1A1
SCHEMBL11850746 0.78 KMT2A (0.39) RAB9ANPC1KDM4EALDH1A1
SCHEMBL7474953 0.78 MEN1 (0.53) RAB9ANPC1TSHRKDM4ETSPO
SCHEMBL902241 0.76 ALOX15 (0.53) KDM4ETDP1ALDH1A1MAPT
SCHEMBL11413170 0.76 ALDH1A1 (0.46) RAB9ANPC1TSHRKDM4ETDP1
SCHEMBL3123146 0.76 ALDH1A1 (0.36) RAB9ANPC1TSHRTRPM8ALDH1A1

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
US-5663386-A REACTION WITH AQUEOUS ALKALINE SOLUTION PRODUCES COLOR WHICH PASSES INTO AQUEOUS PHASE BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0689575-B1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1997-02-05 EP disclosed
EP-0689575-A1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1996-01-03 EP disclosed
WO-1994021752-A1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AKTIENGESELLSCHAFT (DE) 1994-09-29 WO disclosed