SCHEMBL11375670

SCHEMBL11375670

COc1ccc(OC)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.56
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ CHEK2 O96017 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11552075 0.91 GUSB (0.47) GUSBTP53POLBMAPTTDP1
SCHEMBL11374443 0.91 GUSB (0.53) GUSBTP53POLBMAPTTDP1
SCHEMBL11556538 0.91 TSHR (0.47) GUSBTP53POLBMAPTTDP1
SCHEMBL11554058 0.91 GUSB (0.51) GUSBTP53POLBMAPTTDP1
SCHEMBL11550616 0.91 GUSB (0.51) GUSBTP53POLBMAPTTDP1
SCHEMBL11552873 0.89 PDE5A (0.44) GUSBTP53POLBMAPTTDP1
SCHEMBL11549969 0.89 GUSB (0.49) GUSBTP53POLBMAPTTDP1
SCHEMBL11380547 0.89 MGLL (0.48) GUSBTP53POLBMAPTTDP1
SCHEMBL11375402 0.88 AMY1A (0.50) GUSBTP53POLBMAPTTDP1
SCHEMBL11550692 0.87 LMNA (0.43) GUSBTP53POLBMAPTTDP1

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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