SCHEMBL9258701

SCHEMBL9258701

CCCCCCCCCCCCOc1ccc(-c2ccc(CCCCC(=O)OCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.54
DGKA P23743 1/20 0.53
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52
PLA2G4A P47712 1/20 0.51
LTA4H P09960 1/20 0.51
P2RY10 O00398 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50

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
SCHEMBL3487193 0.96 DGKA (0.57) DGKAMEN1ALDH1A1KMT2AUSP2
SCHEMBL5498756 0.92 P2RY10 (0.57) RARBLMNALTA4HP2RY10S1PR4
SCHEMBL1667461 0.92 PLA2G4A (0.58) DGKAMEN1ALDH1A1KMT2AUSP2
SCHEMBL8000090 0.92 LTA4H (0.57) DGKAMEN1ALDH1A1KMT2AUSP2
SCHEMBL7279461 0.88 CYP4F2 (0.59) LMNALTA4HP2RY10S1PR4S1PR1
SCHEMBL14534753 0.88 LTA4H (0.56) DGKAALDH1A1LMNALTA4HMAPT
SCHEMBL14534754 0.88 LTA4H (0.56) DGKAALDH1A1LMNALTA4HMAPT
SCHEMBL2386450 0.87 DGKA (0.62) DGKAMEN1ALDH1A1KMT2AUSP2
SCHEMBL8754706 0.87 RARB (0.58) RARBMEN1ALDH1A1KMT2AMAPK1
SCHEMBL10929511 0.87 CYP4Z1 (0.60) RARBDGKAALDH1A1LMNACYP3A4

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
US-5417884-A Containing a thiadiazole group BASF AKTIENGESELLSCHAFT (DE) 1995-05-23 US disclosed