SCHEMBL27299072

SCHEMBL27299072

O=C(O)C(=O)c1cc(Br)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CES2 O00748 1/20 0.48
GALR3 O60755 1/20 0.48
HPGD P15428 3/20 0.47
SORT1 Q99523 1/20 0.47
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL18214 0.83 ALDH1A1 (0.63) ALDH1A1HPGDSORT1CYP1A2MAPT
SCHEMBL30249448 0.83 ALDH1A1 (0.63) ALDH1A1HPGDSORT1CYP1A2MAPT
SCHEMBL10462650 0.82 ALDH1A1 (0.61) ALDH1A1HPGDSORT1CYP1A2MAPT
Hydrochloric Acid SCHEMBL1631822 0.82 ALDH1A1 (0.61) ALDH1A1HPGDSORT1CYP1A2MAPT
SCHEMBL29875449 0.79 ALDH1A1 (0.56) ALDH1A1CES2GALR3HPGDCYP1A2
SCHEMBL18163 0.79 ALDH1A1 (0.61) ALDH1A1CES2GALR3HPGDCYP1A2
SCHEMBL28545012 0.79 ALDH1A1 (0.61) ALDH1A1CES2GALR3HPGDCYP1A2
SCHEMBL30356385 0.79 ALDH1A1 (0.61) ALDH1A1CES2GALR3HPGDCYP1A2
SCHEMBL23092224 0.78 KDM4E (0.57) ALDH1A1CES2GALR3HPGDSORT1
SCHEMBL23098988 0.78 KDM4E (0.57) ALDH1A1CES2GALR3HPGDSORT1

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
EP-4638438-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF Xinthera, Inc. (US) 2025-10-29 EP disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed
WO-2024138042-A1 ALPHA4 BETA7 INTEGRIN ANTAGONISTS AND USES THEREOF XINTHERA, INC. (US) 2024-06-27 WO disclosed