SCHEMBL11550616

SCHEMBL11550616

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.51
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHEK2 O96017 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ ALPG P10696 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL11559725 0.95 TP53 (0.44) GUSBTP53POLBMAPTTDP1
SCHEMBL11552075 0.93 GUSB (0.47) GUSBTP53POLBMAPTTDP1
SCHEMBL11375670 0.91 GUSB (0.56) GUSBTP53POLBMAPTTDP1
SCHEMBL11390124 0.88 PDE5A (0.41) TP53POLBMAPTTDP1KDM4E
SCHEMBL11556064 0.86 GUSB (0.49) GUSBTP53POLBMAPTTDP1
SCHEMBL11554058 0.86 GUSB (0.51) GUSBTP53POLBMAPTTDP1
SCHEMBL11375677 0.85 PDE5A (0.54) GUSBTP53POLBMAPTTDP1
SCHEMBL11549969 0.84 GUSB (0.49) GUSBTP53POLBMAPTTDP1
SCHEMBL11374443 0.84 GUSB (0.53) GUSBTP53POLBMAPTTDP1
SCHEMBL11384755 0.83 PDE5A (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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