SCHEMBL28020514

SCHEMBL28020514

Cc1cccc(C(=O)OC(C)C)c1OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 9/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
SCN1A P35498 2/20 0.45
SCN5A Q14524 2/20 0.45
SCN9A Q15858 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
NFKB1 P19838 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 1/20 0.45
KCNK3 O14649 1/20 0.45
CACNA1F O60840 1/20 0.45
KCNK2 O95069 1/20 0.45
GBA1 P04062 1/20 0.45
MAOA P21397 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL27248870 0.87 SCN4A (0.46) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL28020132 0.87 TSHR (0.63) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL14975222 0.85 TSHR (0.53) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL27248901 0.83 ALDH1A1 (0.57) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL28020540 0.83 TSHR (0.45) TSHRLMNACYP3A4ALDH1A1NPC1
SCHEMBL27703396 0.83 PLAU (0.46) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL29196230 0.83 NPC1 (0.50) LMNACYP1A2ALDH1A1CYP2C9KCNK3
SCHEMBL28215030 0.82 ALDH1A1 (0.54) SCN4ATSHRLMNASCN1ASCN5A
SCHEMBL28020078 0.81 CXCR5 (0.49) ALDH1A1NPC1CA12CA1CA2
SCHEMBL28020495 0.80 TSHR (0.56) SCN4ATSHRLMNACYP1A2CYP3A4

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-104829756-A Solid catalyst component for olefin polymerization, and preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-08-12 CN disclosed