SCHEMBL9500482

SCHEMBL9500482

CCCCCc1ccc(-c2ccccc2C(O)CC)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
GCGR P47871 4/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
IDO1 P14902 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 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
SCHEMBL9500522 0.99 KCNH2 (0.40) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9498670 0.99 KCNH2 (0.40) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9500222 0.99 KCNH2 (0.40) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9500323 0.99 KCNH2 (0.40) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9499377 0.99 KCNH2 (0.40) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9502015 0.96 GABRP (0.38) GABRPGABRDGABRA1IDO1GABRB1
SCHEMBL9500391 0.90 LMNA (0.36) GCGRSMN1; SMN2
SCHEMBL9498342 0.85 KCNH2 (0.36) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9498235 0.85 KCNH2 (0.36) KCNH2GCGRMAPTRAB9ANPC1
SCHEMBL9498645 0.84 LMNA (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354655-B1 1-PHENYL-1-PROPANOL DERIVATIVES CHISSO CORPORATION (JP) 1993-04-07 EP disclosed
US-5076947-A Optically active; free from temperature dependence CHISSO CORPORATION (JP) 1991-12-31 US disclosed
EP-0354655-A2 1-Phenyl-1-propanol derivatives CHISSO CORPORATION (JP) 1990-02-14 EP disclosed