SCHEMBL8000546

SCHEMBL8000546

CCCCCCOc1ccc(OCCCCCC)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.52
▸ THRB P10828 2/20 0.52
▸ NR5A1 Q13285 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ S1PR2 O95136 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ LPAR2 Q9HBW0 1/20 0.48
▸ SMPD1 P17405 3/20 0.47
▸ TP53 P04637 1/20 0.46

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
SCHEMBL28018164 1.00 THRA (0.52) THRATHRBNR5A1TSHRS1PR2
SCHEMBL27710358 0.95 MAPT (0.49) THRATHRBTSHR
SCHEMBL13303518 0.88 TDP1 (0.48) THRATHRBTSHR
SCHEMBL13303486 0.87 KDM4E (0.46) THRATHRBNR5A1
SCHEMBL15859489 0.86 NR5A1 (0.51) THRATHRBNR5A1TSHRSMPD1
SCHEMBL15641111 0.86 NR5A1 (0.51) THRATHRBNR5A1TSHRSMPD1
SCHEMBL15859141 0.86 NR5A1 (0.51) THRATHRBNR5A1TSHRSMPD1
SCHEMBL2497117 0.86 L3MBTL1 (0.51) THRATHRBTSHR
SCHEMBL27847653 0.86 THRA (0.55) THRATHRBNR5A1TSHRSMPD1
SCHEMBL2208315 0.84 PTPN11 (0.55) THRATHRBS1PR2S1PR1S1PR3

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
US-8349997-B2 Method for production of block copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 — — US disclosed
US-20100099823-A1 METHOD FOR PRODUCTION OF BLOCK COPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-22 — — US disclosed
US-6020452-A Chiral biphenyl compounds for use in asymmetric reactions NORTH DAKOTA STATE UNIVERSITY (US) 2000-02-01 — — US disclosed
US-5889134-A POLYMER BASED ON A ROTATION-HINDERED 2,2'SUBSTITUTED BIPHENYL SUBUNIT WHICH WHEN REACTED WITH AN ORGANOZINC COMPOUND CATALYZES KETONE REDUCTION BY A BORANE, EPOXIDATION OF AN A,B-UNSATURATED COMPOUND USING OXYGEN; ALDEHYDE ALKYLATION NORTH DAKOTA STATE UNIVERSITY (US) 1999-03-30 — — US disclosed
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