SCHEMBL29976409

SCHEMBL29976409

Cc1cc(C=O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
ALDH1A3 P47895 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 2/20 0.35
P4HB P07237 1/20 0.35
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS2 P35354 1/20 0.32
JAK2 O60674 3/20 0.32
BTK Q06187 3/20 0.32

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
SCHEMBL12499900 1.00 ALDH1A1 (0.38) ALDH1A1ALDH1A3TDP1HSD17B10CYP2A6
SCHEMBL1467753 0.88 CYP2A6 (0.36) ALDH1A1ALDH1A3TDP1HSD17B10CYP2A6
SCHEMBL19211659 0.82 ALDH1A1 (0.37) ALDH1A1TDP1HSD17B10CYP2A6P4HB
SCHEMBL28698510 0.82 ALDH1A1 (0.47) ALDH1A1ALDH1A3TDP1HSD17B10CYP2A6
SCHEMBL29820394 0.82 ALDH1A1 (0.37) ALDH1A1TDP1HSD17B10CYP2A6P4HB
SCHEMBL31584071 0.82 ALDH1A1 (0.47) ALDH1A1ALDH1A3TDP1HSD17B10CYP2A6
SCHEMBL28476218 0.81 ALDH1A1 (0.37) ALDH1A1ALDH1A3TDP1HSD17B10CYP2A6
SCHEMBL21358544 0.81 LPL (0.35) ALDH1A1ALDH1A3TDP1HSD17B10P4HB
SCHEMBL24107274 0.80 LPL (0.38) ALDH1A1TDP1HSD17B10CYP2A6P4HB
SCHEMBL31533278 0.80 LPL (0.38) ALDH1A1TDP1HSD17B10CYP2A6P4HB

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
EP-4333899-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2024-03-13 EP disclosed
WO-2023172957-A1 THAIZOLE-PYRIMDIINE CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-09-14 WO disclosed
WO-2022235945-A1 COMPOUNDS FOR TARGETING DEGRADATION OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2022-11-10 WO disclosed