SCHEMBL22288463

SCHEMBL22288463

CC(C)Oc1ccc2nc(C(=O)C(N)C(=O)O)c(O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 2/20 0.39
EGLN1 Q9GZT9 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.37
PARP10 Q53GL7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.35
ABL1 P00519 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6565239 0.82 PDE3B (0.49) PDE3BPDE3AALDH1A1EGLN1KMT2A
SCHEMBL5090728 0.77 PDE3B (0.42) PDE3BPDE3AALDH1A1EGLN1KMT2A
SCHEMBL705929 0.77 EGLN1 (0.62) PDE3BPDE3AEGLN1
SCHEMBL27878745 0.71 PDE3B (0.46) PDE3BPDE3AALDH1A1EGLN1KMT2A
SCHEMBL6535849 0.71 KDM4E (0.51) PDE3BPDE3AALDH1A1KDM4EGLA
SCHEMBL4658383 0.70 KMO (0.39) CA2
SCHEMBL27592805 0.70 PDE3B (0.45) PDE3BPDE3AALDH1A1KMT2APARP10
SCHEMBL6567169 0.68 ALDH1A1 (0.52) PDE3BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL6565253 0.67 TDP1 (0.43) EGLN1KMT2ASMN1; SMN2HDAC8TP53
SCHEMBL8629707 0.66 MCL1 (0.51) PDE3BPDE3AALDH1A1KMT2AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969417-B2 Topical formulation for use in alopecia TOMORROWLABS GMBH (AT) 2024-04-30 US disclosed
EP-3917525-B1 NEW TOPICAL FORMULATION FOR USE IN ALOPECIA TOMORROWLABS GMBH (AT) 2024-02-28 EP disclosed
WO-2021259471-A1 DERMAL FILLER WITH HIF-1α ACTIVITY MODULATORS THOR DOMINIK (AT) 2021-12-30 WO disclosed
EP-3917525-A1 NEW TOPICAL FORMULATION FOR USE IN ALOPECIA Tomorrowlabs GmbH (AT) 2021-12-08 EP disclosed
WO-2020157064-A1 NEW TOPICAL FORMULATION FOR USE IN ALOPECIA TOMORROWLABS GMBH (AT) 2020-08-06 WO disclosed