SCHEMBL8460896

SCHEMBL8460896

C=CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(C(C)(C)C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPT P10636 5/20 0.53
MAPK1 P28482 2/20 0.53
NR1H4 Q96RI1 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 3/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
WDR5 P61964 1/20 0.43

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
SCHEMBL9486281 0.86 SMN1; SMN2 (0.64) ALDH1A1MAPTMAPK1NR1H4SMN1; SMN2
SCHEMBL8839247 0.83 RARA (0.44) ALDH1A1MAPTMAPK1NR1H4SMN1; SMN2
SCHEMBL8460899 0.81 PKM (0.64) ALDH1A1MAPTNR1H4SMN1; SMN2PKM
SCHEMBL8458030 0.80 PRSS1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1MEN1
SCHEMBL8442730 0.78 NR1H4 (0.53) ALDH1A1MAPTMAPK1NR1H4SMN1; SMN2
SCHEMBL22067604 0.78 MEN1 (0.56) ALDH1A1MAPTMAPK1SMN1; SMN2PKM
SCHEMBL8839216 0.77 RARA (0.40) ALDH1A1MAPTNR1H4SMN1; SMN2NPC1
SCHEMBL8457513 0.77 RARA (0.49) ALDH1A1MAPTMAPK1SMN1; SMN2PKM
SCHEMBL8839322 0.75 KDM4E (0.39) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5604917 0.74 NPC1 (0.69) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 US disclosed