SCHEMBL10347379

SCHEMBL10347379

CCCC1CCC(C2CCC(CCc3ccc(OC(=O)CC)cn3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPT P10636 5/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ACACB O00763 2/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TLR4 O00206 1/20 0.33

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
SCHEMBL10347380 1.00 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347378 1.00 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347404 0.93 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347405 0.93 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347408 0.93 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347522 0.93 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347524 0.93 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347523 0.93 KMT2A (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347191 0.92 PKM (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL10347194 0.92 PKM (0.36) KMT2ASMN1; SMN2ESR1HIF1ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365641-A1 PYRIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1990-05-02 — — EP disclosed
WO-1989010356-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-02 — — WO disclosed
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