SCHEMBL8804794

SCHEMBL8804794

Cc1ccc(CCC(O)Cn2ccnc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ AGER Q15109 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL8805417 0.93 CYP11B1 (0.42) CYP11B1CYP11B2AGERPOLBCTDSP1
SCHEMBL11284437 0.81 CYP11B1 (0.52) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11277864 0.81 CYP11B1 (0.48) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL8803353 0.81 CYP19A1 (0.56) CYP11B1CYP11B2AGERTDP1CYP19A1
SCHEMBL11273980 0.81 CYP11B1 (0.47) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11286350 0.80 CYP11B1 (0.45) CYP11B1CYP11B2POLBCYP19A1
SCHEMBL11270205 0.79 CYP11B1 (0.49) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11285968 0.79 CYP11B1 (0.44) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11275707 0.78 ALDH1A1 (0.48) CYP11B1CYP11B2TDP1CYP19A1
SCHEMBL11279504 0.78 IDO1 (0.45) CYP11B1CYP11B2TDP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 — — EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 — — US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 — — EP disclosed
US-4518607-A FUNGICIDES, BACXTERICIDES AND ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1985-05-21 — — US disclosed
US-4078071-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1978-03-07 — — US disclosed
Send feedback