SCHEMBL28097868

SCHEMBL28097868

CC(Oc1ccccc1)C(CO)(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTA4H P09960 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
FFAR1 O14842 1/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 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
Pyrophosphoric Acid SCHEMBL29191972 0.87 SRC (0.41) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL27759622 0.77 ATM (0.38) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL11663263 0.75 LMNA (0.41) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL1029655 0.74 SLC6A4 (0.39) LTA4HALDH1A1FFAR1PPARGPPARA
SCHEMBL14463423 0.74 ATM (0.40) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL11022205 0.74 KDM4E (0.40) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL11911977 0.74 ATM (0.40) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL8718949 0.74 ATM (0.40) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL16404283 0.73 LMNA (0.40) LMNAMTNR1AMTNR1BGAACYP1A2
SCHEMBL120055 0.72 MTNR1A (0.55) LMNAMTNR1AMTNR1BGAACYP1A2

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
CN-106065087-A Flame retardant flame retardant composition and molded body and manufacturing method thereof 双键化工(上海)有限公司 2016-11-02 CN disclosed