SCHEMBL22295619

SCHEMBL22295619

CC(C)(C)Oc1ccc(C(=O)c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.56
▸ SIRT1 Q96EB6 1/20 0.50
▸ TRPV1 Q8NER1 2/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ FGFR2 P21802 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ELANE P08246 2/20 0.47
▸ FABP2 P12104 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL22538881 1.00 SRD5A2 (0.56) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL12598675 1.00 SRD5A2 (0.56) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL21515379 1.00 SRD5A2 (0.56) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL18635899 1.00 SRD5A2 (0.56) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL13064135 0.95 SRD5A2 (0.51) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL19542245 0.95 SRD5A2 (0.51) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL22892431 0.95 SRD5A2 (0.51) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL16281930 0.95 SRD5A2 (0.61) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL22569386 0.95 SRD5A2 (0.61) SRD5A2SIRT1TRPV1MAPTALDH1A1
SCHEMBL19339948 0.91 SRD5A2 (0.66) SRD5A2SIRT1MAPTALDH1A1MAPK1

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-3481800-B1 PROCESS FOR PREPARING AN ORGANIC SULFONE BASF SE (DE) 2020-08-05 — — EP disclosed
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