SCHEMBL27445499

SCHEMBL27445499

CCCCCOc1ccc2c(c1)C=C(C(C)Br)CO2

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.53
MTNR1A P48039 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MTNR1B P49286 1/20 0.36
NR5A1 Q13285 1/20 0.35
TSHR P16473 1/20 0.35
PTPN1 P18031 1/20 0.35
LTA4H P09960 3/20 0.35
HTR1B P28222 1/20 0.34

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 0.80 ALOX5 (0.63) ALOX5MTNR1ATHRATHRBPTPN1
SCHEMBL27463101 0.79 ALOX5 (0.55) ALOX5MTNR1ATHRATHRBMTNR1B
SCHEMBL27445498 0.78 ALOX5 (0.61) ALOX5MTNR1ATHRATHRBPTPN1
SCHEMBL7203574 0.78 ALOX5 (0.66) ALOX5MTNR1AMTNR1BNR5A1
SCHEMBL7198793 0.78 ALOX5 (0.66) ALOX5MTNR1ATSHR
SCHEMBL27461740 0.78 ALOX5 (0.54) ALOX5MTNR1ATHRATHRBMTNR1B
SCHEMBL7202221 0.77 ALOX5 (0.56) ALOX5MTNR1ATHRATHRBMTNR1B
SCHEMBL9729696 0.76 ALOX5 (0.58) ALOX5MTNR1ATHRATHRBMTNR1B
SCHEMBL9730115 0.74 ALOX5 (0.64) ALOX5MTNR1AMTNR1BNR5A1
SCHEMBL7199698 0.71 MTNR1A (0.72) ALOX5MTNR1AMTNR1B

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