SCHEMBL11554732

SCHEMBL11554732

CCOc1c(OC)cccc1-c1nc2ccc(C(=O)OCCN(C)C)cc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ PDE5A O76074 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL11553799 0.93 GUSB (0.44) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11553644 0.90 ALDH1A1 (0.53) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11556023 0.88 GUSB (0.51) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11549471 0.86 GUSB (0.53) GUSBMAPTPDE5AKMT2APOLB
SCHEMBL11549502 0.85 MEN1 (0.46) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11553336 0.84 GUSB (0.51) GUSBMAPTPDE5AKMT2APOLB
SCHEMBL11555458 0.84 ALDH1A1 (0.46) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11553024 0.80 GUSB (0.57) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11375840 0.80 ALDH1A1 (0.58) GUSBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11554449 0.80 GUSB (0.47) GUSBMAPTPDE5AKMT2APOLB

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-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US claimed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
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