SCHEMBL7182941

SCHEMBL7182941

COc1ccc(CCC[O])cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CA2 P00918 3/20 0.59
POLB P06746 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
AOC3 Q16853 1/20 0.54
HSP90AA1 P07900 1/20 0.54
STAT3 P40763 1/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA9 Q16790 2/20 0.53
CA5A P35218 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL7179485 0.94 ATM (0.59) ATMKDM4ECA2POLBCYP19A1
SCHEMBL7184659 0.93 ATM (0.58) ATMKDM4ECA2POLBCYP19A1
SCHEMBL7187163 0.93 ATM (0.58) ATMKDM4ECA2POLBCYP19A1
SCHEMBL296592 0.88 ATM (0.66) ATMKDM4ECA2POLBCYP19A1
SCHEMBL10343404 0.88 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL30869991 0.88 ATM (0.70) ATMKDM4ECA2POLBCYP19A1
SCHEMBL23913120 0.86 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31556187 0.86 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL31556190 0.86 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
SCHEMBL1076661 0.85 ATM (0.61) ATMKDM4ECA2POLBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed