SCHEMBL7252153

SCHEMBL7252153

CC(C)(C)C1(O)C=CC(C(=O)c2ccccc2)=C(O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ELANE P08246 3/20 0.34
ALOX5 P09917 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRD5A2 P31213 1/20 0.33
PTGES O14684 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29429342 0.81 L3MBTL1 (0.40) MEN1KMT2AALDH1A1ELANEALOX5
SCHEMBL28440273 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1ELANEALOX5
SCHEMBL29119739 0.81 KMT2A (0.36) MEN1KMT2AALDH1A1GAAELANE
SCHEMBL31531602 0.78 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL5948144 0.77 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL3120605 0.75 ALDH1A1 (0.37) MEN1KMT2AALDH1A1ELANEALOX5
SCHEMBL28435553 0.75 ELANE (0.33) MEN1KMT2AALDH1A1ELANEALOX5
SCHEMBL28525187 0.75 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GAARAB9A
SCHEMBL29215525 0.74 ELANE (0.38) MEN1KMT2AALDH1A1GAAELANE
SCHEMBL180233 0.73 MAPT (0.35) MEN1KMT2AALDH1A1ELANEALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6632561-B1 Particles and dual binder composed of crosslinkable and nonreactive polymers; high temperature dimensional stability; increased lithium ion conductivity BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-6475663-B1 Compositions suitable for electrochemical cells BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
US-6031044-A A WATER-SOLUBLE, WATER-DISPERSIBLE POLYURETHANE COPOLYMER HAVING PHOTOINITIATOR UNITS BONDED COVALENTLY TO THE POLYMER CHAIN; CROSSLINKABLE BY IRRADIATION WITH UV LIGHT AFTER DRYING; PROTECTIVE COATINGS BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed