SCHEMBL11375677

SCHEMBL11375677

CC(C)Oc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.54
▸ GUSB P08236 4/20 0.49
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TNKS O95271 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL11380795 0.91 PDE5A (0.55) PDE5AGUSBALOX15HSD17B10KDM4E
SCHEMBL11377859 0.89 GUSB (0.51) PDE5AGUSBHSD17B10KDM4EHPGD
SCHEMBL11383000 0.88 PDE5A (0.44) PDE5AGUSBALOX15HSD17B10RAB9A
SCHEMBL11559725 0.88 TP53 (0.44) PDE5AGUSBHSD17B10KDM4EHPGD
SCHEMBL11374270 0.88 ALDH1A1 (0.55) PDE5AGUSBALOX15HSD17B10KDM4E
SCHEMBL11382413 0.87 GUSB (0.59) GUSBKDM4EHPGDTNKSPOLB
SCHEMBL11391684 0.87 PDE5A (0.41) PDE5AGUSBHSD17B10KDM4EHPGD
SCHEMBL11390124 0.87 PDE5A (0.41) PDE5AHSD17B10KDM4EHPGDTNKS
SCHEMBL11554463 0.86 GUSB (0.51) PDE5AGUSBRAB9ANPC1TP53
SCHEMBL11378049 0.86 GUSB (0.55) PDE5AGUSBRAB9ANPC1TP53

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-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US claimed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
Send feedback