SCHEMBL9719103

SCHEMBL9719103

C=Cc1cc(C)ccc1C.C=Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
HSD17B2 P37059 2/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32

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
SCHEMBL9366859 0.86 TDP1 (0.45) TSHRPTGS1PTGS2ALOX5TP53
SCHEMBL4424277 0.82 TSHR (0.65) TSHRPTGS1PTGS2TP53TDP1
SCHEMBL28259163 0.81 ALOX5 (0.35) PTGS1PTGS2ALOX5TDP1ALDH1A1
SCHEMBL32671491 0.81 MAPT (0.42) TSHRTDP1ALDH1A1CYP1A2NPC1
SCHEMBL183161 0.81 MAPT (0.42) TSHRTDP1ALDH1A1CYP1A2NPC1
SCHEMBL29392003 0.80 ALOX5 (0.47) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL87447 0.80 ALOX5 (0.47) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL15198 0.78 ALDH1A1 (0.58) TSHRTDP1ALDH1A1CYP1A2NPC1
SCHEMBL11034893 0.77 PTGS1 (0.41) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL8527619 0.77 RELA (0.49) TSHRPTGS1PTGS2ALOX5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091476-A Fireproofing THE DOW CHEMICAL COMPANY (US) 1992-02-25 US claimed
EP-0378103-A2 Cyanate ester resin blends with brominated styrene containingpolymers THE DOW CHEMICAL COMPANY (US) 1990-07-18 EP claimed
US-5091476-A Fireproofing THE DOW CHEMICAL COMPANY (US) 1992-02-25 US disclosed
EP-0378103-A2 Cyanate ester resin blends with brominated styrene containingpolymers THE DOW CHEMICAL COMPANY (US) 1990-07-18 EP disclosed