SCHEMBL9030249

SCHEMBL9030249

COC(=O)CCCC(=O)OC(=O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.39
GLA P06280 1/20 0.39
PKM P14618 1/20 0.37
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3185213 0.85 TSHR (0.40) TSHRKMT2AMEN1ALDH1A1
SCHEMBL27501999 0.82 FAAH (0.47) KMT2AMEN1LMNAALDH1A1HSD17B10
SCHEMBL4770469 0.82 TSHR (0.48) TSHRKMT2ALMNAALDH1A1
SCHEMBL23723861 0.81 TSHR (0.35) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL22605826 0.80 ALDH1A1 (0.38) TSHRKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL6618945 0.80 FAAH (0.55) KMT2AMEN1LMNAHSD17B10
SCHEMBL5769222 0.79 CAMK2A (0.37) TSHRALDH1A1
SCHEMBL16540471 0.79 TSHR (0.65) TSHRKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL10499113 0.78 FAAH (0.57) KMT2AMEN1LMNAHSD17B10
SCHEMBL11293992 0.78 FAAH (0.57) KMT2AMEN1LMNAHSD17B10

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
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed