SCHEMBL7042556

SCHEMBL7042556

CCCCCCCCCCOc1ccc(OCCCCCCCCCC)c(CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.49
▸ TSHR P16473 2/20 0.47
▸ HTR1B P28222 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ HTR1D P28221 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL271643 0.88 MAPT (0.44) HTR1BMAPTALDH1A1GAATP53
SCHEMBL31351913 0.88 MAPT (0.44) HTR1BMAPTALDH1A1GAATP53
SCHEMBL9252707 0.87 NR5A1 (0.51) NR5A1TSHRHTR1BMAPTTP53
SCHEMBL2713222 0.84 MAPT (0.49) MAPTALDH1A1GAATHRBNPSR1
SCHEMBL5981361 0.83 MAPT (0.42) NR5A1TSHRMAPTALDH1A1GAA
SCHEMBL3277560 0.83 MAPT (0.42) NR5A1TSHRMAPTALDH1A1GAA
SCHEMBL4600904 0.83 MAPT (0.42) NR5A1TSHRMAPTALDH1A1GAA
SCHEMBL7718276 0.83 MAPT (0.42) NR5A1TSHRMAPTALDH1A1GAA
SCHEMBL31261741 0.83 RAB9A (0.55) TSHRMAPTALDH1A1GAATHRB
SCHEMBL31261595 0.83 RAB9A (0.55) TSHRMAPTALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1295180-A2 PROCESS FOR PRODUCING MICROFLUIDIC ARTICLES 3M Innovative Properties Company (US) 2003-03-26 — — EP disclosed
WO-2001096958-A2 PROCESS FOR PRODUCING MICROFLUIDIC ARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-12-20 — — WO disclosed
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