SCHEMBL11380547

SCHEMBL11380547

COc1ccc(C)cc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.48
▸ GUSB P08236 4/20 0.46
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL11377089 0.91 MEN1 (0.46) MGLLGUSBCYP1A1CYP1B1POLB
SCHEMBL11375670 0.89 GUSB (0.56) GUSBPOLBTSHRSMN1; SMN2MAPT
SCHEMBL11377673 0.88 ALDH1A1 (0.57) MGLLGUSBPOLBMEN1KMT2A
SCHEMBL11390124 0.88 PDE5A (0.41) MGLLPOLBMEN1KMT2AMAPT
SCHEMBL11383907 0.88 PDE4A (0.42) MGLLPOLBMEN1KMT2AMAPT
SCHEMBL11375402 0.88 AMY1A (0.50) GUSBCYP1A1CYP1B1POLBMAPT
SCHEMBL11382413 0.86 GUSB (0.59) GUSBCYP1A1CYP1B1POLBMEN1
SCHEMBL11375179 0.85 PDE5A (0.45) GUSBPOLBMAPTTP53TDP1
SCHEMBL11552075 0.85 GUSB (0.47) GUSBCYP1A1CYP1B1POLBMEN1
SCHEMBL11389001 0.84 PKM (0.46) GUSBCYP1A1CYP1B1POLBMEN1

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 3 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
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
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