SCHEMBL29401235

SCHEMBL29401235

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ EPHX2 P34913 1/20 0.42

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
SCHEMBL3060107 1.00 CASP3 (0.46) CASP3PIN1KMT2APOLBCYP3A4
SCHEMBL29692865 0.91 CASP3 (0.47) CASP3PIN1KMT2APOLBEPHX2
SCHEMBL3070048 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL29401786 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL29368798 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL30656017 0.90 CASP3 (0.52) CASP3PIN1KMT2AEPHX2
SCHEMBL5706475 0.89 CASP3 (0.47) CASP3PIN1KMT2AEPHX2
SCHEMBL14019298 0.87 POLB (0.51) CASP3PIN1KMT2APOLBCYP3A4
SCHEMBL31546599 0.87 POLB (0.51) CASP3PIN1KMT2APOLBCYP3A4
SCHEMBL3210403 0.85 CASP3 (0.49) CASP3PIN1KMT2ACYP3A4CYP2D6

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-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
Send feedback