SCHEMBL9498428

SCHEMBL9498428

CCCCc1cnc(-c2ccccc2C(O)CC)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
NFKB1 P19838 5/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BRS3 P32247 3/20 0.37

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
SCHEMBL9499138 0.96 RARB (0.45) RARBNFKB1LMNAKDM4EMEN1
SCHEMBL9502051 0.95 RARB (0.47) RARBNFKB1LMNAKDM4EMEN1
SCHEMBL9500275 0.95 RARB (0.47) RARBNFKB1LMNAKDM4EMEN1
SCHEMBL9498708 0.95 RARB (0.47) RARBNFKB1LMNAKDM4EMEN1
SCHEMBL9498424 0.95 RARB (0.47) RARBNFKB1LMNAKDM4EMEN1
SCHEMBL9498197 0.95 RARB (0.47) RARBNFKB1LMNAKDM4EMEN1
SCHEMBL9500363 0.92 SMN1; SMN2 (0.38) RARBLMNASMN1; SMN2RAB9ANPC1
SCHEMBL9498396 0.85 LMNA (0.38) LMNAALDH1A1MAPTL3MBTL1TSHR
SCHEMBL9500477 0.84 RAB9A (0.52) NFKB1LMNAKDM4EMEN1ALDH1A1
SCHEMBL9498712 0.82 NPC1 (0.40) LMNAKDM4EALDH1A1MAPTKMT2A

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