SCHEMBL11379801

SCHEMBL11379801

C=CCn1c(=O)c(C(=O)O)c(O)c2cc3c(cc21)OCO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ EDNRB P24530 3/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ NPC1 O15118 3/20 0.40

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
SCHEMBL11639360 0.85 MEN1 (0.53) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11377719 0.85 LMNA (0.64) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11366169 0.80 LMNA (0.51) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11373523 0.80 MEN1 (0.49) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11445264 0.80 KMT2A (0.45) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11372364 0.77 RXFP1 (0.62) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11365043 0.76 RXFP1 (0.53) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL10676306 0.75 MEN1 (0.72) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11365331 0.74 RXFP1 (0.54) KMT2AMEN1LMNAKDM4EMAPT
SCHEMBL11035052 0.69 ALDH1A1 (0.72) KMT2AMEN1CA12CA1CA2

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-4281131-A ANTIALLERGENS SANDOZ, INC. (US) 1981-07-28 — — US claimed
US-4187309-A ANTIALLERGENS, ANTIHISTAMINES SANDOZ, INC. (US) 1980-02-05 — — US claimed
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