SCHEMBL30353836

SCHEMBL30353836

CCOC(=O)c1cccc(NCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 3/20 0.57
POLB P06746 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
PKM P14618 1/20 0.56
CDC25B P30305 4/20 0.55
MEN1 O00255 2/20 0.55
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL14435084 1.00 KMT2A (0.59) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL3092388 0.86 KMT2A (0.63) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL8672958 0.86 RAB9A (0.60) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL10145068 0.84 RAB9A (0.61) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL24077536 0.83 KMT2A (0.57) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL8683968 0.83 NAMPT (0.65) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL30807828 0.83 RAB9A (0.60) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL24077783 0.83 RAB9A (0.60) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL10106419 0.83 MAPT (0.65) KMT2AALDH1A1TSHRRAB9ANPC1
SCHEMBL11158358 0.83 MAPT (0.58) KMT2AALDH1A1TSHRRAB9ANPC1

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
EP-4161917-A1 GRK2 INHIBITORS AND USES THEREOF Cygnal Therapeutics, Inc. (US) 2023-04-12 EP disclosed