SCHEMBL22047713

SCHEMBL22047713

CCCCNc1ccc(C(=O)O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 17/20 1.00
HCAR2 Q8TDS4 2/20 0.61
EPHX2 P34913 1/20 0.53
CNR2 P34972 1/20 0.49
FYN P06241 1/20 0.48

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
SCHEMBL11246840 0.94 HCAR3 (0.97) HCAR3HCAR2EPHX2
Hydrochloric Acid SCHEMBL11180843 0.93 HCAR3 (0.94) HCAR3HCAR2EPHX2
SCHEMBL186474 0.90 HCAR3 (1.00) HCAR3HCAR2FYN
SCHEMBL31292064 0.84 HCAR3 (0.73) HCAR3HCAR2
SCHEMBL186420 0.83 HCAR3 (1.00) HCAR3HCAR2
SCHEMBL18193683 0.83 HCAR3 (0.74) HCAR3HCAR2
SCHEMBL9592348 0.82 HCAR3 (0.70) HCAR3EPHX2CNR2
SCHEMBL7230169 0.82 HCAR3 (0.73) HCAR3HCAR2
SCHEMBL1680894 0.82 HCAR3 (0.76) HCAR3HCAR2EPHX2CNR2
SCHEMBL3562313 0.81 HCAR3 (0.71) HCAR3HCAR2

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
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed