Sugi Predict

Sugi Predict / Compounds / SCHEMBL10522356

SCHEMBL10522356

SCHEMBL10522356

CCCCCCOc1ccc(C(=O)CO)cc1CCC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.56
▸ PLA2G2D Q9UNK4 1/20 0.54
▸ THRA P10827 10/20 0.53
▸ THRB P10828 9/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ SMPD1 P17405 3/20 0.48

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
SCHEMBL9387348 0.92 LTB4R (0.48) LTB4RPLA2G2DTHRATHRBALDH1A1
SCHEMBL5711634 0.92 LTB4R (0.53) LTB4RPLA2G2DTHRATHRBALDH1A1
SCHEMBL6935194 0.91 LTB4R (0.46) LTB4RPLA2G2DTHRATHRB
SCHEMBL2422646 0.89 LTB4R (0.45) LTB4RPLA2G2DTHRATHRB
Hydrochloric Acid SCHEMBL9417918 0.88 LTB4R (0.45) LTB4RPLA2G2DTHRATHRB
SCHEMBL6136991 0.88 LTB4R (0.44) LTB4RPLA2G2DTHRATHRB
SCHEMBL8777238 0.88 LTB4R (0.44) LTB4RPLA2G2DTHRATHRB
SCHEMBL6934988 0.86 LTB4R (0.42) LTB4RPLA2G2DTHRATHRB
SCHEMBL9417815 0.86 PLA2G2D (0.51) LTB4RPLA2G2DTHRATHRBALDH1A1
SCHEMBL9417820 0.86 PLA2G2D (0.51) LTB4RPLA2G2DTHRATHRBALDH1A1

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
JP-1121236-A — — None — — JP disclosed
JP-H01121236-A ACETOPHENONE DERIVATIVE AND ANTIRHEUMATIC TERUMO CORP 1989-05-12 — — JP disclosed