SCHEMBL29035142

SCHEMBL29035142

Cc1cccc(C2CC(C(=O)O)N(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTRA1 Q92743 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GPR119 Q8TDV5 1/20 0.43
▸ NR1H2 P55055 6/20 0.41
▸ NR1H3 Q13133 5/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ RXRA P19793 2/20 0.38
▸ RORC P51449 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC4 P56524 1/20 0.37

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
SCHEMBL25364354 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29035144 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29880431 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL23452424 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL30882336 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL25366199 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29035193 1.00 HTRA1 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL25054231 0.90 GPR119 (0.46) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL30530634 0.88 NR1H2 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL29523847 0.88 NR1H2 (0.49) HTRA1CYP1A2POLBCYP3A4CYP2C19

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
CN-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 — — CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 — — CN disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 — — CN disclosed
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