SCHEMBL9640779

SCHEMBL9640779

Cc1cccc(C)c1CCC(O)(CCc1cncn1Cc1ccccc1)C(C)c1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 15/20 0.47
CYP11B2 P19099 15/20 0.47
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
IDO1 P14902 1/20 0.36
P2RX7 Q99572 1/20 0.34
HPGDS O60760 1/20 0.32

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
Hydrochloric Acid SCHEMBL9640790 0.99 CYP11B1 (0.46) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL9640783 0.86 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
Hydrochloric Acid SCHEMBL9640798 0.85 CYP11B1 (0.53) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL10583558 0.83 CYP11B1 (0.45) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL10583555 0.82 CYP11B1 (0.48) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL10791218 0.73 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL10795658 0.71 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL9641848 0.70 CYP11B1 (0.54) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL10794979 0.70 CYP11B1 (0.44) CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1
SCHEMBL2200112 0.69 CYP11B1 (0.56) CYP11B1CYP11B2IDO1P2RX7HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 EP claimed
EP-0311447-B1 AROMATASE INHIBITING 4(5)-IMIDAZOLES ORION-YHTYMÀ„ OY (FI) 1992-08-26 EP disclosed
US-5098923-A Antiestrogens, anticarcinogenic agents or fungicides FARMOS-YHTYMA OY (FI) 1992-03-24 US disclosed