SCHEMBL7669157

SCHEMBL7669157

CCCCNC(=O)c1ccc(C#C[Se]c2cc3c(cc2C)C(C)(C)CCC3(C)C)nc1.Cc1cc2c(cc1[Se]C#Cc1ccc(C(=O)N3CCOCC3)cn1)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
KIT P10721 1/20 0.36
DDR1 Q08345 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KLKB1 P03952 1/20 0.34
FASN P49327 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
SCHEMBL6882358 0.90 RARA (0.39) GRM5KDM4EKITDDR1SMN1; SMN2
SCHEMBL6878799 0.89 GRM5 (0.51) GRM5KDM4ERAB9AJAK2JAK1
SCHEMBL6880222 0.74 RXRA (0.54)
SCHEMBL7669063 0.74 RXRA (0.54)
SCHEMBL6872171 0.74 RARA (0.56)
SCHEMBL6033034 0.73 SMN1; SMN2 (0.47) GRM5KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL6033243 0.65 RXRA (0.46)
SCHEMBL6871470 0.62 CYP3A4 (0.56)
SCHEMBL2910172 0.62 RARB (0.61)
SCHEMBL6872785 0.62 CYP3A4 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441010-B2 USEFUL AS COSMETIC FOR HAIR AND BODY HYGIENE, AND FOR TREATMENT OF DERMATOLOGICAL COMPLAINTS, WITH AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT OF RHEUMATIC OR RESPIRATORY TYPE, CARDIVASCULAR AND OPTHALMOGICAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-08-27 US claimed