SCHEMBL9642245

SCHEMBL9642245

CCC(C)Oc1c(OC(C)CC)c(OC(=O)CC(C)C)c2ccc(Cl)cc2c1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 3/20 0.34
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
DHODH Q02127 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MAOB P27338 1/20 0.31
HTT P42858 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10337090 1.00 ABCB11 (0.54) ABCB11SMN1; SMN2NPC1LMNAPOLB
SCHEMBL9643015 0.92 ABCB11 (0.63) ABCB11SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL9643105 0.86 ABCB11 (0.54) ABCB11SMN1; SMN2ALDH1A1DHODHKDM4E
SCHEMBL9641821 0.86 ABCB11 (0.54) ABCB11SMN1; SMN2ALDH1A1DHODHKDM4E
SCHEMBL10337092 0.85 ABCB11 (0.50) ABCB11DHODHMAPT
SCHEMBL9643064 0.85 ABCB11 (0.54) ABCB11SMN1; SMN2POLBALOX15ALDH1A1
SCHEMBL9642690 0.85 ABCB11 (0.54) ABCB11SMN1; SMN2POLBALOX15ALDH1A1
SCHEMBL9643573 0.81 ABCB11 (0.53) ABCB11SMN1; SMN2NPC1LMNAPOLB
SCHEMBL9642908 0.81 ABCB11 (0.53) ABCB11SMN1; SMN2NPC1LMNAPOLB
SCHEMBL9642402 0.80 ABCB11 (0.55) ABCB11SMN1; SMN2ALDH1A1DHODHCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed