SCHEMBL11224871

SCHEMBL11224871

COc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ABCB1 P08183 7/20 0.60
ABCC1 P33527 4/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHEK1 O14757 1/20 0.53
PIM1 P11309 1/20 0.53
MAPK8 P45983 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
KCNK2 O95069 1/20 0.53
ABL1 P00519 1/20 0.53
RIN1 Q13671 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL11239532 0.90 ABCB1 (0.57) LMNASMN1; SMN2ABCB1ABCC1CYP1A2
SCHEMBL11224497 0.86 LMNA (0.60) LMNASMN1; SMN2ABCB1CHEK1PIM1
SCHEMBL11233843 0.85 SERPINE1 (0.60) LMNASMN1; SMN2ABCB1CYP1A2CYP3A4
SCHEMBL6349404 0.85 LMNA (0.81) LMNASMN1; SMN2ABCB1CHEK1PIM1
SCHEMBL4699872 0.83 CHEK1 (0.76) LMNASMN1; SMN2ABCB1CHEK1PIM1
SCHEMBL11573780 0.82 AKR1C4 (0.64) LMNASMN1; SMN2CYP1A2CHEK1PIM1
SCHEMBL6355599 0.81 LMNA (0.56) LMNASMN1; SMN2ABCB1CHEK1PIM1
SCHEMBL6673290 0.80 ABCB1 (0.55) LMNASMN1; SMN2ABCB1ABCC1CYP1A2
SCHEMBL6673286 0.80 ABCB1 (0.55) LMNASMN1; SMN2ABCB1ABCC1CYP1A2
SCHEMBL7919608 0.79 ABCB1 (0.78) ABCB1ABCC1MEN1KMT2AALDH1A1

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-4337270-A ANTIALLERGENS; ANTIANAPHYLACTIC AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-06-29 US disclosed