SCHEMBL19917294

SCHEMBL19917294

COC(=O)C12CC(C(=O)ON3C(=O)c4ccccc4C3O)(C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ PKM P14618 3/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23969628 0.81 KDM4E (0.41) RAB9AMEN1KMT2AATMTSHR
SCHEMBL30519448 0.77 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL21123753 0.77 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL25575417 0.77 RAB9A (0.48) RAB9AMEN1KMT2AATMSMN1; SMN2
SCHEMBL21848555 0.72 DDB1 (0.36) RAB9AMEN1KMT2AATMSMN1; SMN2
SCHEMBL22027093 0.72 ALDH1A1 (0.39) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL25544817 0.72 KMT2A (0.42) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL21848395 0.70 GPR119 (0.39) ATMTSHRKDM4EPOLBPKM
SCHEMBL22027341 0.69 ALDH1A1 (0.37) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL21848452 0.69 RAB9A (0.39) RAB9AMEN1KMT2AATMSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018039232-A1 METHODS FOR CROSS COUPLING KALYRA PHARMACEUTICALS, INC. (US) 2018-03-01 — — WO disclosed
Send feedback