SCHEMBL24731262

SCHEMBL24731262

O=C(O)C1=CC(F)(F)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRR1 P24046 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33
▸ GABRG3 Q99928 1/20 0.33
▸ GABRQ Q9UN88 1/20 0.33
▸ SRD5A1 P18405 1/20 0.33
▸ SRD5A2 P31213 1/20 0.33

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
SCHEMBL11005542 0.73 SRD5A2 (0.35) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL3623734 0.70 TSHR (0.39) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL2299169 0.67 ALDH1A1 (0.34) TSHRLMNA
SCHEMBL23299696 0.67 TSHR (0.37) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL23299694 0.66 OAT (0.46) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL417350 0.65 OAT (0.37) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL6641316 0.65 OAT (0.37) GABRPGABRDGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL23274778 0.65 OAT (0.44) GABRPGABRDGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL23274780 0.65 OAT (0.44) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL23299700 0.63 OAT (0.43) GABRPGABRDGABRA1TSHRGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 — — WO disclosed
EP-4301724-A1 (S)-3-AMINO-4,4-DIHALOCYCLOPENT-1-ENECARBOXYLIC ACID AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE Northwestern University (US) 2024-01-10 — — EP disclosed
WO-2022187523-A1 (S)-3-AMINO-4,4-DIHALOCYCLOPENT-1-ENECARBOXYLIC ACID AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE NORTHWESTERN UNIVERSITY (US) 2022-09-09 — — WO disclosed
WO-2022187523-A1 (S)-3-AMINO-4,4-DIHALOCYCLOPENT-1-ENECARBOXYLIC ACID AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE NORTHWESTERN UNIVERSITY (US) 2022-09-09 — — WO disclosed
Send feedback