SCHEMBL20514871

SCHEMBL20514871

CC1=C(C)C(O)C(CCN(C)C(=O)NCc2ccc(Cl)cc2)=C(C)C1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 2/20 0.41
LSS P48449 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
UTS2R Q9UKP6 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL20514853 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20514879 0.77 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1788036 0.76 MEN1 (0.43) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL15043962 0.67 CYP2C19 (0.62) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL167573 0.65 MEN1 (0.73) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL19375965 0.65 MAPT (0.56) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL31657814 0.65 MAPT (0.56) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL196487 0.64 KMT2A (0.70) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL10057404 0.63 CYP2C19 (0.55) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL24576009 0.63 MEN1 (1.00) MEN1KMT2ARAB9AALDH1A1NPC1

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-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP claimed