SCHEMBL9624719

SCHEMBL9624719

O=C1OCCC1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
CRBN Q96SW2 9/20 0.50
DDB1 Q16531 8/20 0.50
CYP1A2 P05177 3/20 0.50
IKZF3 Q9UKT9 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRM2 P08172 1/20 0.50
OPRM1 P35372 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TNF P01375 1/20 0.38
IL1B P01584 1/20 0.38
TBXA2R P21731 1/20 0.38
IKZF1 Q13422 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL11538199 0.85 TSHR (0.49) TSHRCYP1A2ALDH1A1CYP2C9MAPT
SCHEMBL11544600 0.77 KDM4E (0.51) TSHRCYP1A2ALDH1A1CYP2C9MAPT
SCHEMBL7284377 0.76 CRBN (0.55) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL22623717 0.76 CRBN (0.55) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL410243 0.76 CRBN (0.55) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL442296 0.76 CRBN (0.55) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL410700 0.76 CRBN (0.55) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL986701 0.75 DDB1 (0.46) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL11606116 0.75 DDB1 (0.46) TSHRCRBNDDB1CYP1A2IKZF3
SCHEMBL20258195 0.72 CYP1A2 (0.47) TSHRCRBNDDB1CYP1A2IKZF3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025024697-A1 INTERMEDIATES FOR SYNTHESIZING EXATECAN MESYLATE SIGMA-ALDRICH CO. LLC (US) 2025-01-30 WO claimed
WO-2025024697-A1 INTERMEDIATES FOR SYNTHESIZING EXATECAN MESYLATE SIGMA-ALDRICH CO. LLC (US) 2025-01-30 WO disclosed
EP-0265412-B1 2-AMINO-4-PHOSPHONYL-BUTANOATE DERIVATES AND PREPARATION OF 2-AMINO-4-PHOSPHINYL BUTANOIC ACIDS Monsanto Company (US) 1992-03-11 EP disclosed
US-4764620-A 4-phosphorus-2-phthalimidobutyrate intermediates MONSANTO COMPANY (US) 1988-08-16 US disclosed
EP-0265412-A2 2-Amino-4-Phosphonyl-butanoate derivates and preparation of 2-amino-4-phosphinyl butanoic acids Monsanto Company (US) 1988-04-27 EP disclosed
US-4237305-A INTERMEDIATES FOR PREPARING NEW ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-12-02 US disclosed
US-4118511-A Aryloxy aminobutanols for alleviating symptoms of depression AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-10-03 US disclosed
US-4071552-A Aryloxy aminobutanols, their preparation and use thereof AYERST MCKENNA AND HARRISON LTD. (CA) 1978-01-31 US disclosed