SCHEMBL31435356

SCHEMBL31435356

COc1ccc(CO)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.58
AR P10275 1/20 0.54
KIF11 P52732 1/20 0.44
PTPN7 P35236 2/20 0.43
DUSP3 P51452 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CA2 P00918 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ACHE P22303 1/20 0.40
NR3C1 P04150 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1437536 1.00 S1PR1 (0.58) S1PR1ARKIF11PTPN7DUSP3
SCHEMBL5371918 0.86 AR (0.54) S1PR1ARKIF11HTR2AHTR2C
SCHEMBL10204755 0.84 CYP3A4 (0.47) S1PR1ARHTR2ANPC1POLB
SCHEMBL12013165 0.84 S1PR1 (0.46) S1PR1ARPTPN7DUSP3HTR2A
SCHEMBL11991664 0.83 S1PR1 (0.44) S1PR1ARKIF11NPC1POLB
SCHEMBL13350088 0.83 RXRA (0.58) S1PR1ARKIF11RXRARXRB
SCHEMBL29783248 0.82 S1PR1 (0.45) S1PR1ARPTPN7DUSP3HTR2A
SCHEMBL31435397 0.82 TTR (0.49) S1PR1ARPTPN7DUSP3HTR2A
SCHEMBL13461851 0.82 S1PR1 (0.45) S1PR1ARPTPN7DUSP3HTR2A
SCHEMBL2023009 0.82 TTR (0.49) S1PR1ARPTPN7DUSP3HTR2A

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
WO-2025090792-A1 AMIDE PRODRUGS AND USES THEREOF AUTOBAHN THERAPEUTICS, INC. (US) 2025-05-01 WO disclosed