SCHEMBL10604252

SCHEMBL10604252

CCCCOc1ccc(CCl)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA6 Q15084 1/20 0.42
LTA4H P09960 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NR5A1 Q13285 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TSHR P16473 1/20 0.40
CYP19A1 P11511 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2D6 P10635 3/20 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
SCHEMBL10607360 0.97 NR5A1 (0.46) PDIA6LTA4HTHRATHRBNR5A1
SCHEMBL10605692 0.95 NR5A1 (0.49) PDIA6LTA4HTHRATHRBNR5A1
SCHEMBL10604603 0.93 ACACB (0.43) PDIA6LTA4HCA12CA1CA2
SCHEMBL18067926 0.85 PDIA6 (0.49) PDIA6LTA4HTHRATHRBNR5A1
SCHEMBL10606335 0.85 NQO1 (0.48) LTA4HCA12CA1CA4CA6
SCHEMBL10606227 0.82 L3MBTL1 (0.49) LTA4HNR5A1CA12CA1CA2
SCHEMBL6301708 0.82 KDM4E (0.49) LTA4HTHRATHRBNR5A1CA12
SCHEMBL10604405 0.81 CNR2 (0.44) LTA4HNR5A1CA12CA1CA2
SCHEMBL10607339 0.81 L3MBTL1 (0.41) LTA4HNR5A1CA12CA1CA2
SCHEMBL10607567 0.79 L3MBTL1 (0.50) LTA4HNR5A1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182872-B1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS THE DOW CHEMICAL COMPANY (US) 1989-11-08 EP disclosed
EP-0182872-A4 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS. DOW CHEMICAL CO (US) 1986-08-21 EP disclosed
EP-0182872-A1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS. DOW CHEMICAL CO (US) 1986-06-04 EP disclosed
WO-1985005355-A1 A PROCESS FOR THE PREPARATION OF CYCLOBUTENE-SUBSTITUTED AROMATIC HYDROCARBONS THE DOW CHEMICAL COMPANY (US) 1985-12-05 WO disclosed