SCHEMBL24801286

SCHEMBL24801286

Bc1ccc(C(=O)O)c(CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
AKR1B1 P15121 2/20 0.39
DCLRE1A Q6PJP8 1/20 0.39
DCLRE1B Q9H816 1/20 0.39
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL256737 0.82 DCLRE1B (0.40) DCLRE1ADCLRE1BCYP1A2KDM4EMAPT
SCHEMBL5374764 0.80 APEX1 (0.57) APEX1AKR1B1DCLRE1ADCLRE1BCYP1A2
SCHEMBL21464343 0.78 CA2 (0.55) APEX1AKR1B1MAPTALDH1A1MEN1
SCHEMBL30301887 0.77 KDM4E (0.48) APEX1AKR1B1KDM4EMEN1KMT2A
SCHEMBL1022607 0.77 SMN1; SMN2 (0.57) APEX1DCLRE1BKDM4EMAPTALDH1A1
SCHEMBL2923481 0.77 TSHR (0.50) APEX1AKR1B1DCLRE1ADCLRE1BKDM4E
SCHEMBL2042628 0.77 KDM4E (0.48) APEX1AKR1B1KDM4EMEN1KMT2A
SCHEMBL2336414 0.77 SRC (0.54) APEX1KDM4EMAPTALDH1A1MEN1
SCHEMBL8235153 0.77 AKR1B1 (0.39) APEX1AKR1B1CYP1A2KDM4EMAPT
SCHEMBL2386421 0.77 KDM4E (0.55) APEX1AKR1B1DCLRE1ADCLRE1BCYP1A2

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
WO-2022272036-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed