SCHEMBL7679979

SCHEMBL7679979

CC(C)(C)c1cc(Cc2nc3cc(Cl)cc(C#CCO)c3o2)cc(C(C)(C)C)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
GABBR2 O75899 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL6971919 0.88 DHFR (0.36) DHFRALDH1A1MAPK1LMNATSHR
SCHEMBL7733912 0.86 NPC1 (0.31) NPC1RAB9A
SCHEMBL8324863 0.85 DHFR (0.33) DHFR
SCHEMBL7310660 0.82 DHFR (0.33) DHFR
SCHEMBL7737540 0.82 MAPT (0.44) ALDH1A1LMNATSHRMEN1TP53
SCHEMBL6964996 0.81 PTGDR2 (0.38) DHFRMEN1KMT2AGAANPC1
SCHEMBL6972804 0.80 DHFR (0.38) DHFRALDH1A1MAPK1LMNATSHR
SCHEMBL7737446 0.77 PGK1 (0.35) ALDH1A1MEN1KMT2APGK1
SCHEMBL7724886 0.75 SMN1; SMN2 (0.35) ALDH1A1MAPK1LMNAMEN1TP53
SCHEMBL7734791 0.73 RAB9A (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A

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-6365606-B1 TREATMENT OF DISEASES WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF CYTOKINES; SIDE EFFECT REDUCTION; ISOINDOLES; BRONCHODILATOR; ANTI-INFLAMMATORY AGENT EURO-CELTIQUE, S.A. (LU) 2002-04-02 US disclosed