SCHEMBL30457512

SCHEMBL30457512

COC(=O)c1cc(C(=O)OC(C)(C)C)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 8/20 0.47
KMT2A Q03164 5/20 0.47
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45

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
SCHEMBL25236981 1.00 MAPT (0.50) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL30457729 0.88 CA12 (0.49) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL7399022 0.88 MAPT (0.50) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL25278897 0.88 CA12 (0.49) MAPTKDM4EHPGDALDH1A1LMNA
SCHEMBL29678875 0.87 MAPT (0.64) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL5169870 0.87 MAPT (0.64) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL7927917 0.85 ALDH1A1 (0.50) MAPTKDM4EKMT2AHPGDALDH1A1
SCHEMBL11238694 0.83 TSHR (0.61) MAPTKDM4EKMT2AALDH1A1RAB9A
SCHEMBL3990255 0.83 KDM4E (0.47) MAPTKDM4EHPGDALDH1A1RAB9A
SCHEMBL6931187 0.82 CYP1A2 (0.63) MAPTKDM4EKMT2AHPGDALDH1A1

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
EP-4448508-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed