SCHEMBL18814520

SCHEMBL18814520

CC(C)NC(=O)N[C@H]1CC[C@H](NC(=O)C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.46
EPHX2 P34913 3/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL18814521 1.00 EPHX1 (0.50) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL18804825 0.90 KMT2A (0.54) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL15262638 0.90 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL2625568 0.90 EPHX1 (0.58) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL103477 0.85
SCHEMBL18880078 0.85 SMYD3 (0.47) EPHX1L3MBTL1ATMEPHX2MAPK8
SCHEMBL2625559 0.84 EPHX1 (0.61) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL2625555 0.84 EPHX1 (0.67) EPHX1ALDH1A1SMN1; SMN2ATMEPHX2
SCHEMBL23573335 0.82 ALDH1A1 (0.56) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL14654896 0.82 EPHX1 (0.66) EPHX1ALDH1A1SMN1; SMN2L3MBTL1ATM

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-20220119580-A1 POLYURETHANE/UREA MATERIALS FOLDAX, INC. 2022-04-21 US disclosed
US-10266657-B2 Polyurethane/urea compositions COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-04-23 US disclosed
US-20170119923-A1 POLYURETHANE/UREA COMPOSITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION 2017-05-04 US disclosed