SCHEMBL9502022

SCHEMBL9502022

CCC(O)c1ccccc1-c1ccc(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 2/20 0.37
CYP2A6 P11509 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
METAP2 P50579 1/20 0.35
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL9498680 0.84 NPC1 (0.41) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL20018787 0.83 CCR1 (0.46) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL9499159 0.82 MAPT (0.38) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL9500599 0.81 LMNA (0.39) LMNAKMT2A
SCHEMBL9499176 0.81 SMN1; SMN2 (0.44) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL9498220 0.81 CYP11B1 (0.38) LMNANPC1TP53RAB9ASMN1; SMN2
SCHEMBL5427650 0.80 KDM4E (0.42) CCR1CCR5CCR8LMNANPC1
SCHEMBL9500477 0.79 RAB9A (0.52) CYP3A4LMNANPC1TP53RAB9A
SCHEMBL9500172 0.79 CYP2D6 (0.40) CYP3A4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9498372 0.79 CYP4F2 (0.38) LMNANPC1RAB9ASMN1; SMN2NFKB1

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