SCHEMBL7413663

SCHEMBL7413663

COC(C)OC.O=CCn1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.40
EGLN3 Q9H6Z9 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
FDPS P14324 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
SCHEMBL447733 0.84
SCHEMBL28188435 0.82
SCHEMBL8388811 0.69 FDPS (0.46) TBXAS1ALOX15TSHRALDH1A1MEN1
SCHEMBL26838403 0.69 FDPS (0.46) TBXAS1ALOX15TSHRALDH1A1MEN1
SCHEMBL26803149 0.69 FDPS (0.46) TBXAS1ALOX15TSHRALDH1A1MEN1
SCHEMBL27558159 0.69 TBXAS1 (0.48) TBXAS1EGLN3ALOX15TSHRMEN1
SCHEMBL2001148 0.69
SCHEMBL25290547 0.68 TBXAS1 (0.50) TBXAS1EGLN3ALDH1A1MEN1KMT2A
SCHEMBL16076626 0.68 TBXAS1 (0.45) TBXAS1ALDH1A1FDPS
SCHEMBL19953026 0.68 FDPS (0.45) TBXAS1ALOX15TSHRALDH1A1MEN1

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
US-5015641-A Dipeptide for vision defects ANDREWS DAVID R (US) 1991-05-14 US disclosed
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 US disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 US disclosed