SCHEMBL28548846

SCHEMBL28548846

O=C1c2cccc(O)c2Cc2c(O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.56
MAPT P10636 3/20 0.56
MAOB P27338 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP19A1 P11511 3/20 0.54
TNF P01375 2/20 0.53
TYR P14679 1/20 0.53
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49

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
SCHEMBL29892048 1.00 MAOA (0.56) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL11607235 0.86 MAOA (0.61) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL29034014 0.85 CA2 (0.55) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL8871242 0.84 CYP19A1 (0.49) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL11611425 0.82 ELANE (0.51) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL8756171 0.81 MAPT (0.67) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL12774631 0.80 KMT2A (0.45) MAPTALDH1A1TDP1LMNAHPGD
SCHEMBL11605912 0.80 MAOA (0.47) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL28543945 0.77 CA1 (0.45) MAOAMAPTMAOBALDH1A1ALOX15
SCHEMBL18290575 0.75 TYR (0.74) MAOBCYP19A1TNFTYR

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-112010906-B Bisphosphite and preparation method and application thereof 中国海洋石油集团有限公司 2021-09-28 CN disclosed
CN-112010906-A Bisphosphite and preparation method and application thereof 中国海洋石油集团有限公司 2020-12-01 CN disclosed