SCHEMBL9399971

SCHEMBL9399971

COC(=O)C(C)CSc1cc(C)c(N)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ MTNR1A P48039 3/20 0.30
▸ MTNR1B P49286 3/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL9400123 0.77 PTGS1 (0.46) VCAM1
SCHEMBL9399916 0.72 ALDH1A1 (0.35) VCAM1
SCHEMBL9399938 0.70 MAPT (0.37) —
SCHEMBL12240328 0.69 HPGD (0.49) MMP2ADAM17CA1CA2CA9
SCHEMBL19876726 0.69 MTNR1A (0.52) MMP2ADAM17MTNR1AMTNR1B
SCHEMBL9399998 0.68 POLB (0.45) CA2
SCHEMBL9328163 0.67 HPN (0.47) VCAM1CA1CA2
SCHEMBL29128149 0.66 ESRRB (0.47) MMP2ADAM17ADRB2ADRB1ADRB3
SCHEMBL9399962 0.66 POLB (0.34) —
SCHEMBL12264721 0.65 MTNR1A (0.51) MMP2ADAM17ADRB2ADRB1ADRB3

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
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US claimed
US-5321067-A Oxidation, heat resistance CIBA-GEIGY CORPORATION (US) 1994-06-14 — — US disclosed
US-5145970-A Oil additives CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
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