SCHEMBL28670574

SCHEMBL28670574

CCNc1ccc(NCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.47
ADRA2A P08913 5/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
AGTR1 P30556 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FFAR1 O14842 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
SCHEMBL5692310 0.89 ALDH1A1 (0.44) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL10952675 0.84 L3MBTL1 (0.50) LMNAALDH1A1HPGDPOLBFFAR1
Oxalic Acid SCHEMBL9716123 0.84 LMNA (0.55) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL10955013 0.83 ALDH1A1 (0.52) MAPTALDH1A1RAB9AHPGDPOLB
SCHEMBL498570 0.83 ALDH1A1 (0.54) LMNAMAPTALDH1A1RAB9ANPC1
SCHEMBL10538782 0.81 ALDH1A1 (0.53) LMNAMAPTALDH1A1HPGDAGTR1
Hydrochloric Acid SCHEMBL9181167 0.81 MAPT (0.56) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL22354 0.80 CYP1A1 (0.52) MAPTALDH1A1HPGDPOLBMEN1
Hydrochloric Acid SCHEMBL11326485 0.80 CYP1A1 (0.52) MAPTALDH1A1HPGDPOLBMEN1
SCHEMBL9745051 0.80 CYP1A1 (0.52) MAPTALDH1A1HPGDPOLBMEN1

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-108431017-B Salts of conjugates for cancer therapy 拜欧赛特有限公司 2021-12-21 CN disclosed