SCHEMBL31296444

SCHEMBL31296444

CC#CCC1(CC#CC)C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CA9 Q16790 2/20 0.41
ALOX12 P18054 2/20 0.41
RECQL P46063 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CA7 P43166 1/20 0.41
BACE1 P56817 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14727959 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1CA9ALOX12RECQL
SCHEMBL31296433 0.79 APEX1 (0.40) ALDH1A1L3MBTL1CA9TSHRMAPT
SCHEMBL7967035 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1CA9ALOX12RECQL
SCHEMBL22876041 0.68 L3MBTL1 (0.55) ALDH1A1L3MBTL1RAB9AKMT2APOLB
SCHEMBL9010137 0.67 ELANE (0.42) ALDH1A1L3MBTL1CA9ALOX12RECQL
SCHEMBL236347 0.65 CA12 (0.54) ALDH1A1CA9RECQLTSHRMAPK1
SCHEMBL10623075 0.65 MMP2 (0.50) ALDH1A1L3MBTL1CA9ALOX12RECQL
SCHEMBL279560 0.64 TYMS (0.62) ALDH1A1L3MBTL1CA9ALOX12RECQL
SCHEMBL30800362 0.64 TYMS (0.62) ALDH1A1L3MBTL1CA9ALOX12RECQL
SCHEMBL2047434 0.64 PGR (0.44) ALDH1A1L3MBTL1CA9ALOX12RECQL

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-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed