SCHEMBL11292183

SCHEMBL11292183

COc1ccc(Cc2ccccc2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
GPR55 Q9Y2T6 2/20 0.55
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 2/20 0.49
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
GAA P10253 1/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7846076 0.89 LTA4H (0.52) LTA4HCYP11B1CYP11B2
SCHEMBL5421590 0.86 LTA4H (0.58) LTA4HGPR55MTNR1AMTNR1BMAOB
SCHEMBL1539299 0.86 ACHE (0.48) LTA4HMEN1KMT2AMAOB
SCHEMBL27557356 0.85 LTA4H (0.49) LTA4HMTNR1AMTNR1BMEN1KMT2A
SCHEMBL11295684 0.85 GPR84 (0.47) MEN1KMT2AMAOBKDM1AMAOA
SCHEMBL15719428 0.83 CYP19A1 (0.49) LTA4HGAAALDH1A1
SCHEMBL3300286 0.82 LTA4H (0.58) LTA4HGPR55MTNR1AMTNR1BALDH1A1
SCHEMBL30419864 0.81 ALOX5 (0.66) LTA4HMTNR1AMTNR1BMAOBALDH1A1
SCHEMBL6159185 0.81 LTA4H (0.56) LTA4HGPR55MTNR1AMTNR1BMEN1
SCHEMBL7116653 0.81 MTNR1A (0.62) LTA4HGPR55MTNR1AMTNR1BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057740-A1 Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1982-08-18 EP disclosed
US-4275906-A Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1981-06-30 US disclosed