SCHEMBL21624441

SCHEMBL21624441

COC(=O)c1cccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 1.00
▸ LIFR P42702 3/20 0.73

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
SCHEMBL28530762 0.94 NR1H4 (1.00) NR1H4LIFR
SCHEMBL30080675 0.94 NR1H4 (1.00) NR1H4LIFR
SCHEMBL4426194 0.94 NR1H4 (0.88) NR1H4LIFR
SCHEMBL30080777 0.90 NR1H4 (1.00) NR1H4LIFR
SCHEMBL28530824 0.90 NR1H4 (1.00) NR1H4LIFR
SCHEMBL28535262 0.90 NR1H4 (1.00) NR1H4LIFR
SCHEMBL21624442 0.90 NR1H4 (1.00) NR1H4LIFR
SCHEMBL1179357 0.89 NR1H4 (0.88) NR1H4LIFR
SCHEMBL1180584 0.88 NR1H4 (0.87) NR1H4LIFR
SCHEMBL4611112 0.88 NR1H4 (0.79) NR1H4LIFR

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-3823960-A1 ISOXAZOLE AS FXR RECEPTOR AGONISTS Bar Pharmaceuticals Societa ' A Responsabilita' Limitata (IT) 2021-05-26 — — EP disclosed
CN-112424173-A Isoxazoles as FXR receptor agonists 巴尔制药有限公司 2021-02-26 — — CN disclosed
WO-2020016801-A1 ISOXAZOLE AS FXR RECEPTOR AGONISTS BAR PHARMACEUTICALS SOCIETA' A RESPONSABILITA' LIMITATA (IT) 2020-01-23 — — WO disclosed
Send feedback