SCHEMBL27445498

SCHEMBL27445498

CCCCCOc1ccc2c(c1)C=C(CCBr)CO2

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.61
MTNR1A P48039 2/20 0.44
LTA4H P09960 1/20 0.38
PTPN1 P18031 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL7200474 0.90 ALOX5 (0.63) ALOX5MTNR1ALTA4HPTPN1THRA
SCHEMBL7198793 0.85 ALOX5 (0.66) ALOX5MTNR1AALOX12PTGS1PTGS2
SCHEMBL7203574 0.85 ALOX5 (0.66) ALOX5MTNR1AALOX12PTGS1PTGS2
SCHEMBL9730115 0.81 ALOX5 (0.64) ALOX5MTNR1AALOX12
SCHEMBL27463101 0.79 ALOX5 (0.55) ALOX5MTNR1ALTA4HTHRATHRB
SCHEMBL7199698 0.78 MTNR1A (0.72) ALOX5MTNR1AALOX12
SCHEMBL27445499 0.78 ALOX5 (0.53) ALOX5MTNR1ALTA4HPTPN1THRA
SCHEMBL27461740 0.78 ALOX5 (0.54) ALOX5MTNR1ALTA4HTHRATHRB
SCHEMBL7204127 0.77 MTNR1A (0.77) ALOX5MTNR1AALOX12
SCHEMBL7202221 0.77 ALOX5 (0.56) ALOX5MTNR1ATHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1139584-C Heterocyclic compounds, method for preparing and medicine compositions containing same ɪά��ʵ���� 2004-02-25 CN disclosed