SCHEMBL28679275

SCHEMBL28679275

CCOC(=O)c1ccc(C(=O)c2ccccc2)cc1N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.49
▸ HPGD P15428 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42

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
SCHEMBL29771091 0.86 HRH3 (0.48) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11425470 0.78 CA12 (0.50) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL29387070 0.78 TSHR (0.69) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL180024 0.78 TSHR (0.69) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL571222 0.77 SMN1; SMN2 (0.66) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL9310532 0.77 TSHR (0.50) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL1534235 0.76 ATM (0.62) TSHRNPC1RAB9AALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL10715942 0.76 TSHR (0.67) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13301724 0.76 CA12 (0.53) TSHRHPGDNPC1RAB9AALDH1A1
SCHEMBL1893530 0.75 POLB (0.53) TSHRALDH1A1MEN1KMT2AHSD17B10

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-108976153-B Antibacterial hydrophilic compound and application 海思美域(深圳)科技有限公司 2022-01-11 — — CN disclosed
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