SCHEMBL7909791

SCHEMBL7909791

COc1cccc2c1OC(C(=O)O)(C1CCCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL8290864 0.77 ALDH1A1 (0.37) KMT2AALDH1A1NPC1RAB9A
Bicarbonate SCHEMBL7360481 0.71 NPC1 (0.47) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL8147442 0.70 ALDH1A1 (0.39) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL5784672 0.69 PDE4A (0.40) KMT2ALMNANPC1RAB9A
SCHEMBL7846691 0.69 NPC1 (0.46) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL2378171 0.69 LMNA (0.60) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL5786283 0.65 NPC1 (0.44) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL15392653 0.65 OPRD1 (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7552940 0.64 LTB4R (0.47) ALOX15MAPTMTNR1AMTNR1B
SCHEMBL7557806 0.64 LTB4R (0.47) ALOX15MAPTMTNR1AMTNR1B

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
US-6211203-B1 RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-04-03 US disclosed