SCHEMBL10401643

SCHEMBL10401643

CCCCC(CCCC)(C(=O)OS)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN3A Q9NY46 3/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KIF11 P52732 1/20 0.43
NFKB1 P19838 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
CYP1A1 P04798 1/20 0.43

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
SCHEMBL4001019 0.85 KCNN4 (0.55) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL705552 0.83 CYP3A4 (0.43) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL27579259 0.82 CYP3A4 (0.52) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL28319843 0.82 LMNA (0.43) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL14380533 0.81 SCN1A (0.48) SCN1ASCN2ASCN3ATSHRLMNA
Ammonia Solution, Strong SCHEMBL27636051 0.81 CYP3A4 (0.51) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL3927998 0.80 ALDH1A1 (0.52) TSHRLMNACYP1A2CYP2C19KIF11
SCHEMBL19066561 0.78 MEN1 (0.48) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL10442611 0.77 KIF11 (0.47) TSHRLMNACYP2C19KIF11KMT2A
SCHEMBL20541470 0.77 HTT (0.54) TSHRLMNACYP2D6CYP2C19KIF11

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-4897450-A PAINT COATING COMPRISING HYDROXYL-FUNCTIONAL POLYESTER, A BETA-HYDROXY ESTER ACRYLIC COPOLYMER AND AN EPOXY-BASEd CATALYST SYSTEM; HARDNESS; IMPACT STRENGTH THE GLIDDEN COMPANY (US) 1990-01-30 US disclosed
US-4749728-A HAVING HYDROXY-FUNCTIONAL AND CARBOXYLIC ESTER-FUNCTIONAL RESINS OR COMPONENTS THE GLIDDEN COMPANY (US) 1988-06-07 US disclosed
US-4742096-A EPOXIDE AND PHOSPHONIUM OR AMMONIUM SALT THE GLIDDEN COMPANY (US) 1988-05-03 US disclosed
EP-0252289-A2 Transesterification catalysts and thermoset coatings THE GLIDDEN COMPANY (US) 1988-01-13 EP disclosed