SCHEMBL29128149

SCHEMBL29128149

COC(=O)C(C)CSc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.47
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MMP2 P08253 2/20 0.43
ADAM17 P78536 1/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
MIF P14174 4/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL12240328 0.87 HPGD (0.49) MMP2ADAM17CA2CA1CA7
SCHEMBL12264721 0.85 MTNR1A (0.51) MMP2ADAM17CA2CA1CA7
SCHEMBL7862178 0.83 ADRB2 (0.38) MMP2ADAM17CA2CA12CA1
Hydrochloric Acid SCHEMBL9536911 0.82 ESR1 (0.43) ESRRBESR1ESR2MMP2CA2
SCHEMBL19876726 0.80 MTNR1A (0.52) MMP2ADAM17MTNR1AMTNR1B
SCHEMBL5546946 0.77 ESR1 (0.65) ESRRBESR1ESR2CA2CA12
SCHEMBL4185343 0.77 ESR1 (0.65) ESRRBESR1ESR2CA2CA12
SCHEMBL15314148 0.77 ESR1 (0.65) ESRRBESR1ESR2CA2CA12
SCHEMBL3658991 0.76 MAOA (0.42) ESR1ESR2CA2MTNR1AMTNR1B
SCHEMBL28743243 0.75 MMP2 (0.42) MMP2ADAM17MMP9MMP13

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-116997546-A APOL1 inhibitors and methods of use 梅兹治疗公司 2023-11-03 CN disclosed