Sugi Predict

Sugi Predict / Compounds / SCHEMBL11655342

SCHEMBL11655342

SCHEMBL11655342

CCCCCCCCOc1csc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.58
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PLA2G4B P0C869 7/20 0.53
▸ RARB P10826 3/20 0.50
▸ PLA2G4A P47712 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PTPN11 Q06124 1/20 0.47

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
SCHEMBL11721300 1.00 PLA2G2A (0.58) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL11749459 0.85 PLA2G2A (0.49) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL11750707 0.85 PLA2G2A (0.49) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL11721764 0.84 ESR1 (0.48) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL2491618 0.83 RARB (0.64) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL11656497 0.77 PLA2G2A (0.41) PLA2G2ATP53TSHRPLA2G4B
SCHEMBL11715530 0.76 KMT2A (0.45) PLA2G2ATSHR
SCHEMBL9509027 0.76 NR5A1 (0.47) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL9838643 0.76 NR5A1 (0.47) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL5573644 0.74 NR5A1 (0.44) PLA2G2ATP53TSHRPLA2G4BBLM

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-4093622-A Pyridine esters of cyclopropane-carboxylic acid ZOECON CORPORATION (US) 1978-06-06 — — US disclosed