SCHEMBL11377859

SCHEMBL11377859

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.51
▸ PDE5A O76074 7/20 0.45
▸ POLB P06746 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TNKS O95271 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PDE10A Q9Y233 1/20 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
SCHEMBL11375677 0.89 PDE5A (0.54) GUSBPDE5APOLBNPC1TP53
SCHEMBL11384695 0.85 GUSB (0.71) GUSBPDE5APOLBNPC1TP53
SCHEMBL11378049 0.84 GUSB (0.55) GUSBPDE5APOLBNPC1TP53
SCHEMBL11382413 0.84 GUSB (0.59) GUSBPOLBKDM4EHPGDTNKS
SCHEMBL11383679 0.83 PDE5A (0.66) GUSBPDE5AMAPTKDM4EHPGD
SCHEMBL11380722 0.82 PDE5A (0.59) GUSBPDE5APOLBNPC1TP53
SCHEMBL11374270 0.82 ALDH1A1 (0.55) GUSBPDE5APOLBTP53MAPT
SCHEMBL11375259 0.82 PDE5A (0.58) GUSBPDE5AMAPTKDM4EHPGD
SCHEMBL11380795 0.81 PDE5A (0.55) GUSBPDE5AKDM4EHPGDTNKS
SCHEMBL11374673 0.81 GUSB (0.58) GUSBPDE5APOLBNPC1TP53

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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