SCHEMBL9875982

SCHEMBL9875982

CCCCCCOc1ccc(Cc2ccc3ccc(C(C)C)ccc2-3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.44
NR5A1 Q13285 1/20 0.42
RARB P10826 3/20 0.42
SLC2A1 P11166 1/20 0.42
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
PLA2G2A P14555 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9876100 0.84 UCHL3 (0.44) RARBLMNAMEN1USP2ALDH1A1
SCHEMBL12537108 0.82 RARB (0.58) NR5A1RARBSLC2A1POLBLMNA
SCHEMBL17946790 0.82 RARB (0.58) NR5A1RARBSLC2A1POLBLMNA
SCHEMBL677559 0.82 RARB (0.58) NR5A1RARBSLC2A1POLBLMNA
SCHEMBL18314262 0.82 RARB (0.58) NR5A1RARBSLC2A1POLBLMNA
SCHEMBL12537090 0.81 CYP3A4 (0.56) NR5A1RARBSLC2A1LMNAMEN1
SCHEMBL16557180 0.81 CYP3A4 (0.56) NR5A1RARBSLC2A1LMNAMEN1
SCHEMBL12537096 0.81 NR5A1 (0.61) NR5A1SLC2A1LMNAMEN1KMT2A
SCHEMBL21655109 0.81 NR5A1 (0.61) NR5A1SLC2A1LMNAMEN1KMT2A
SCHEMBL15000418 0.81 NR5A1 (0.61) NR5A1SLC2A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed