SCHEMBL9068671

SCHEMBL9068671

COc1ccc(C(=O)O)cc1OCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA7 P43166 1/20 0.59
TPMT P51580 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.49
NR1H4 Q96RI1 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
PDE4B Q07343 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47

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
SCHEMBL8555091 0.86 NPC1 (0.53) CA12CA1CA2CA4CA6
SCHEMBL10180471 0.86 ALDH1A1 (0.54) CA12CA1CA2CA4CA6
SCHEMBL11591611 0.84 HSD17B2 (0.56) TSHRHTTLMNAMAPK1RAB9A
SCHEMBL10180269 0.83 SRD5A2 (0.46) CA12CA1CA2CA4CA6
SCHEMBL30575456 0.83 CA12 (0.63) CA12CA1CA2CA4CA6
SCHEMBL1031663 0.83 CA12 (0.63) CA12CA1CA2CA4CA6
SCHEMBL7356169 0.82 CA12 (0.51) CA12CA1CA2CA4CA6
SCHEMBL11591618 0.82 MAPT (0.55) TSHRLMNAMAPK1RAB9APDE4B
SCHEMBL2450829 0.81 NPC1 (0.50) CA2CA9TSHRMAPK1RAB9A
SCHEMBL2450831 0.81 NPC1 (0.50) CA2CA9TSHRMAPK1RAB9A

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-5565429-A HUMAN LEUCOCYTE ELASTASE INHIBITORS; EMPHYSEMA; ANTIARTHRITIC AGENTS; RHEUMATIC DISEASES ADIR ET COMPAGNIE (FR) 1996-10-15 US disclosed