SCHEMBL29185447

SCHEMBL29185447

CC(N)Cc1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.55
SLC6A4 P31645 3/20 0.53
SLC6A2 P23975 2/20 0.53
TAAR1 Q96RJ0 2/20 0.53
MAOA P21397 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CTSL P07711 1/20 0.53
CYP2A6 P11509 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 2/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL17236371 0.88 KMT2A (0.55) PARP10CTSLKMT2AMAPTTDP1
SCHEMBL8847389 0.85 SLC7A5 (0.62) PARP10CTSLKMT2AMAPTTDP1
SCHEMBL27831685 0.85 SLC7A5 (0.62) PARP10CTSLKMT2AMAPTTDP1
SCHEMBL24606339 0.85 SLC7A5 (0.62) PARP10CTSLKMT2AMAPTTDP1
SCHEMBL11853398 0.85 PRSS1 (0.55) PARP10CTSLKMT2AMAPTTDP1
SCHEMBL16180747 0.82 PARP10 (0.64) PARP10KMT2AMAPTTDP1L3MBTL1
SCHEMBL1790172 0.81 MAPT (0.50) PARP10CTSLKMT2AMAPTTDP1
SCHEMBL579041 0.81 SLC6A4 (0.56) SLC6A4SLC6A2TAAR1MAOASLC6A3
SCHEMBL4905240 0.80 KMT2A (0.62) PARP10KMT2AMAPTTDP1L3MBTL1
SCHEMBL27293364 0.80 SLC6A4 (0.61) SLC6A4SLC6A2TAAR1SLC6A3

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-115611921-B Oxacillin acid amine salt and related crystal forms 成都倍特药业股份有限公司 2024-04-09 CN disclosed