SCHEMBL30362007

SCHEMBL30362007

COc1ccc(Br)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 3/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GFER P55789 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 4/20 0.55
GLA P06280 1/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 2/20 0.55
MYC P01106 1/20 0.54
NR4A1 P22736 1/20 0.54
STAT3 P40763 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL1221627 1.00 POLB (0.63) POLBLCKFYNALDH1A1MAPT
Hydrochloric Acid SCHEMBL27134662 0.98 POLB (0.61) POLBLCKFYNALDH1A1MAPT
SCHEMBL342690 0.86 ALDH1A1 (0.62) POLBLCKFYNALDH1A1MAPT
SCHEMBL1821903 0.86 PTGDR2 (0.63) POLBALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL30361998 0.85 ALDH1A1 (0.59) POLBALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL30362156 0.85 MAPT (0.55) POLBALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL9621997 0.85 ALDH1A1 (0.55) POLBALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL392403 0.85 ALDH1A1 (0.59) POLBALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL477809 0.85 MAPT (0.55) POLBALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL2371565 0.84 POLB (0.49) POLBLCKFYNALDH1A1MAPT

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 6 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
EP-4448483-A1 BICYCLO [3.2.0] HEPTANE BIS(AMIDE) RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
EP-4422746-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 EP disclosed
WO-2023114824-A1 BICYCLO [3.2.0] HEPTANE BIS(AMIDE) RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2023114823-A1 BENZOTHIOPHENE DERIVATIVES AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2023076626-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 WO disclosed