SCHEMBL11720322

SCHEMBL11720322

O=C(O)CCCOc1ccc(C2CCCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
KCNH2 Q12809 2/20 0.57
S1PR1 P21453 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.53
FFAR4 Q5NUL3 6/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52
GPR35 Q9HC97 1/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL11727674 0.95 HRH3 (0.56) HRH3KCNH2S1PR1PTGDR2FFAR4
SCHEMBL28718951 0.94 HRH3 (0.55) HRH3KCNH2S1PR1PTGDR2FFAR4
SCHEMBL25366257 0.92 S1PR1 (0.57) HRH3KCNH2S1PR1FFAR4RAB9A
SCHEMBL9808038 0.84 HRH3 (0.71) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL11724117 0.83 MEN1 (0.53) PTGDR2FFAR4MEN1KMT2ANPC1
SCHEMBL5274797 0.83 MEN1 (0.70) HRH3KCNH2PTGDR2MEN1KMT2A
SCHEMBL5326805 0.81 MEN1 (0.67) HRH3PTGDR2MEN1KMT2ANPC1
SCHEMBL31448501 0.80 PPARA (0.65) FFAR4PPARA
SCHEMBL27508210 0.80 HRH3 (0.61) HRH3KCNH2MEN1KMT2ANPC1
SCHEMBL4333330 0.79 HRH3 (0.60) HRH3KCNH2MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4013708-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1977-03-22 US claimed
US-4013708-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed