SCHEMBL8422593

SCHEMBL8422593

C/C(=C\c1cc(C)c(N)c(C)c1)c1cc(C)c(N)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 13/20 0.49
▸ PTGS2 P35354 7/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ NQO2 P16083 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TUBB1 Q9H4B7 2/20 0.35

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
SCHEMBL8422595 1.00 PTGS1 (0.49) PTGS1PTGS2ALOX5NQO2ALDH1A1
SCHEMBL106276 0.82 ALDH1A1 (0.46) PTGS1PTGS2ALOX5ALDH1A1TP53
SCHEMBL2182990 0.80 PTGS1 (0.70) PTGS1PTGS2ALOX5NQO2CYP3A4
SCHEMBL2182986 0.80 PTGS1 (0.70) PTGS1PTGS2ALOX5NQO2CYP3A4
SCHEMBL8827370 0.75 GSK3B (0.41) PTGS1PTGS2ALOX5NQO2ESR1
SCHEMBL8827373 0.75 GSK3B (0.41) PTGS1PTGS2ALOX5NQO2ESR1
SCHEMBL12311024 0.74 GABRA1 (0.45) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL12715617 0.74 GABRA1 (0.45) PTGS1PTGS2ALOX5ALDH1A1TP53
SCHEMBL12311028 0.74 GABRA1 (0.45) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL12715623 0.74 GABRA1 (0.45) PTGS1PTGS2ALOX5ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573573-B1 MESOGENIC GLYCIDYL AMINES DOW CHEMICAL CO (US) 1999-09-29 — — EP disclosed
US-5360884-A Coatings, adhesives, moldings, laminates and encapsulation THE DOW CHEMICAL COMPANY (US) 1994-11-01 — — US disclosed
EP-0573573-A1 MESOGENIC GLYCIDYL AMINES THE DOW CHEMICAL COMPANY (US) 1993-12-15 — — EP disclosed
US-5262509-A Curable coatings THE DOW CHEMICAL COMPANY (US) 1993-11-16 — — US disclosed
WO-1992015630-A2 MESOGENIC GLYCIDYL AMINES THE DOW CHEMICAL COMPANY (US) 1992-09-17 — — WO disclosed
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