SCHEMBL11391684

SCHEMBL11391684

Cc1ccc(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PTGES O14684 1/20 0.38
▸ GUSB P08236 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37

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
SCHEMBL11390124 0.92 PDE5A (0.41) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11377089 0.88 MEN1 (0.46) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11375677 0.87 PDE5A (0.54) PDE5AKDM4EHPGDHSD17B10NPC1
SCHEMBL11559725 0.84 TP53 (0.44) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11381831 0.82 PDE5A (0.46) PDE5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11380547 0.81 MGLL (0.48) KDM4EALDH1A1HPGDPOLBTDP1
SCHEMBL11550616 0.81 GUSB (0.51) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL11552075 0.80 GUSB (0.47) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11384755 0.79 PDE5A (0.42) PDE5ANPC1RAB9APOLBTDP1
SCHEMBL11380795 0.79 PDE5A (0.55) PDE5AKDM4EHPGDHSD17B10GUSB

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
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