SCHEMBL30360658

SCHEMBL30360658

OCCc1cc2c(cc1Br)CCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL19812759 1.00 PRKCI (0.36) PRKCIHDAC3HDAC4HDAC1HDAC7
SCHEMBL19812792 0.82 MEN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30360652 0.82 MEN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17980277 0.77 CYP3A4 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30360689 0.77 CYP3A4 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1701459 0.76 AHR (0.42) PRKCIHDAC3HDAC4HDAC1HDAC7
SCHEMBL10460157 0.72 ESR1 (0.37) PRKCIHDAC3HDAC4HDAC1HDAC7
SCHEMBL30360663 0.72 PRKCG (0.31)
SCHEMBL30360665 0.72 PRKCG (0.31)
SCHEMBL19813027 0.72 PRKCG (0.31)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514761-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-08-01 CN disclosed
CN-116283877-A Compounds, compositions and uses thereof 赛诺维信制药公司 2023-06-23 CN disclosed
CN-110088107-B Compounds, compositions and uses thereof 赛诺维信制药公司 2023-04-14 CN disclosed