SCHEMBL8480446

SCHEMBL8480446

COCOc1ccc(CCO[Si](C)(C)C(C)(C)C)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.39
FOLH1 Q04609 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
KMT2A Q03164 1/20 0.36
CLCN2 P51788 1/20 0.35
XDH P47989 1/20 0.35
SYK P43405 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 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
SCHEMBL8476991 0.81 FFAR4 (0.33)
SCHEMBL8130484 0.80 TUBB1 (0.33) KMT2AALDH1A1SMN1; SMN2KDM4EHIF1A
SCHEMBL4741957 0.73 ALDH1A1 (0.44) KMT2APPARGALDH1A1
SCHEMBL31246170 0.72 GAA (0.50) MRGPRX4PTPN11KMT2AALDH1A1NPC1
SCHEMBL2497072 0.72 HTT (0.44) KMT2AALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL6818430 0.71 FOLH1 (0.61) FOLH1MRGPRX4ALDH1A1POLBKDM4E
SCHEMBL4741394 0.71 FOLH1 (0.46) FOLH1MRGPRX4KMT2AALDH1A1RAB9A
SCHEMBL18887956 0.71 ALDH1A1 (0.50) KMT2AALDH1A1NPC1RAB9AKDM4E
SCHEMBL30003143 0.71 FOLH1 (0.49) FOLH1KMT2AALDH1A1NPC1RAB9A
SCHEMBL12191687 0.71 ALDH1A1 (0.45) KMT2ADRD2ALDH1A1POLBSMN1; SMN2

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-5914406-A ENZYME INHIBITOR; USEFUL FOR TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMAN-LA ROCHE INC. (US) 1999-06-22 US disclosed
US-5750706-A TREATMENT OF INFLAMMATORY SKIN DISORDERS AND ALOPECIA HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US disclosed
US-5583222-A ANTIINFLAMMATORY AGENTS FOR TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed