SCHEMBL22254842

SCHEMBL22254842

CCOC(=O)C1(C(=O)OCC)CB(C#N)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ SOAT1 P35610 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ OPRM1 P35372 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24195804 0.74 — —
SCHEMBL69496 0.71 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2AATM
SCHEMBL18134201 0.71 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2AATM
SCHEMBL13992169 0.67 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2AATM
SCHEMBL713102 0.67 SMN1; SMN2 (0.46) ALDH1A1POLBMEN1KMT2AATM
SCHEMBL1152835 0.67 SMN1; SMN2 (0.42) ALDH1A1POLBMEN1KMT2AATM
SCHEMBL102472 0.67 POLB (0.41) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL22014551 0.66 KMT2A (0.33) ALDH1A1TSHRMEN1KMT2AHSD17B10
SCHEMBL4759633 0.66 POLB (0.43) ALDH1A1POLBMEN1KMT2AATM
SCHEMBL11470013 0.66 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2AATM

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-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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