SCHEMBL30458104

SCHEMBL30458104

COc1ccc(N2CC(CO)CC2=O)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 3/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
BPTF Q12830 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL25283055 1.00 TP53 (0.45) TP53ALDH1A1RECQLPOLBPDE4A
SCHEMBL6272011 0.86 TP53 (0.52) TP53POLBPDE4APDE4BPDE4C
SCHEMBL2866307 0.82 BPTF (0.55) TP53ALDH1A1POLBPDE4APDE4B
SCHEMBL25234663 0.82 ALDH1A1 (0.42) TP53ALDH1A1RECQLPOLBTSHR
SCHEMBL30457891 0.82 ALDH1A1 (0.42) TP53ALDH1A1RECQLPOLBTSHR
SCHEMBL6269927 0.78 LMNA (0.54) TP53ALDH1A1SMN1; SMN2
SCHEMBL26106082 0.76 PTPN1 (0.48) ALDH1A1L3MBTL1
SCHEMBL26512951 0.76 PTPN1 (0.48) ALDH1A1L3MBTL1
SCHEMBL9031761 0.76 TSHR (0.55) ALDH1A1RECQLTSHRSMN1; SMN2L3MBTL1
SCHEMBL20574134 0.75 CYP17A1 (0.44) TP53ALDH1A1POLBBPTF

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-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118401502-A Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists 百时美施贵宝公司 2024-07-26 CN disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed