SCHEMBL11557533

SCHEMBL11557533

CCCCOc1ccc(C(=O)C(O)c2ccc(OCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PLA2G4B P0C869 3/20 0.54
▸ SLC2A1 P11166 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RARB P10826 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL10766584 0.94 LTA4H (0.55) TP53TSHRPLA2G4BSLC2A1MAPK1
SCHEMBL11373785 0.94 L3MBTL1 (0.55) TP53TSHRPLA2G4BL3MBTL1MAPK1
SCHEMBL30887385 0.87 PARP10 (0.56) TSHRPLA2G4BL3MBTL1SMN1; SMN2
SCHEMBL2299624 0.87 PARP10 (0.56) TSHRPLA2G4BL3MBTL1SMN1; SMN2
SCHEMBL25398351 0.84 LMNA (0.58) TP53TSHRPLA2G4BSMN1; SMN2
SCHEMBL8777459 0.84 LMNA (0.58) TP53TSHRPLA2G4BSMN1; SMN2
SCHEMBL3685401 0.83 LMNA (0.57) TP53TSHRPLA2G4BL3MBTL1MAPK1
SCHEMBL10766589 0.83 ESR1 (0.53) TSHRRARBMAPK1SMN1; SMN2
SCHEMBL12114015 0.83 L3MBTL1 (0.54) TSHRL3MBTL1MAPK1
SCHEMBL25398355 0.82 LMNA (0.59) TP53TSHRPLA2G4BRARBSMN1; SMN2

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
US-4152332-A INFRARED ABSORBING, PLASTICS POLAROID CORPORATION (US) 1979-05-01 — — US disclosed
US-4062867-A INFRARED ABSORBERS POLAROID CORPORATION (US) 1977-12-13 — — US disclosed
Send feedback