SCHEMBL28857964

SCHEMBL28857964

CC1(C(=O)O)C=C(c2ccco2)C=C(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
POLB P06746 7/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CTDSP1 Q9GZU7 2/20 0.37
KEAP1 Q14145 1/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 4/20 0.36
TSHR P16473 3/20 0.36
HCAR2 Q8TDS4 1/20 0.35
PTPN1 P18031 3/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
MEN1 O00255 5/20 0.34
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33

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
SCHEMBL27775494 0.74 RARB (0.31)
SCHEMBL28046652 0.74 CA1 (0.36) POLBKDM4EHCAR2NPC1RAB9A
SCHEMBL27413672 0.73 RXFP1 (0.35) KMT2APTPN1MEN1
SCHEMBL28093247 0.73 SRD5A1 (0.36) POLBL3MBTL1KMT2AMAPTKDM4E
SCHEMBL27371651 0.73 BCL2L1 (0.38) KMT2AHCAR2PTGS1CYP3A4CYP2C9
SCHEMBL28853255 0.72 TSHR (0.36) ALDH1A1TSHRHPGD
SCHEMBL27891181 0.71
SCHEMBL27627740 0.71
SCHEMBL19344710 0.69
SCHEMBL27546695 0.69

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-107922787-A Use of Chemical Mechanical Polishing (CMP) compositions for polishing cobalt-containing substrates 巴斯夫欧洲公司 2018-04-17 CN disclosed