SCHEMBL7946947

SCHEMBL7946947

C[C](C)CCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.50
▸ PLAAT3 P53816 1/20 0.50
▸ PLAAT5 Q96KN8 1/20 0.50
▸ PLAAT2 Q9NWW9 1/20 0.50
▸ PLAAT4 Q9UL19 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC3 O15379 1/20 0.44

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
SCHEMBL7864092 0.83 HDAC3 (0.56) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL26784352 0.82 IDO1 (0.48) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1776 0.82 ALDH1A1 (0.63) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4659398 0.79 PLAAT3 (0.45) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4660647 0.79 PLAAT3 (0.45) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7675448 0.78 ESR1 (0.62) TAAR1KDM4EALDH1A1POLBGAA
SCHEMBL7285624 0.76 TSHR (0.38) TAAR1ALDH1A1GAAHTR3EHTR3B
SCHEMBL7328721 0.76 PLAAT3 (0.55) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9253136 0.76 TAAR1 (0.50) TAAR1AOC3FFAR1MAOB
SCHEMBL28026743 0.76 TAAR1 (0.50) TAAR1ALDH1A1POLBCTDSP1FFAR1

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
WO-2001082697-A2 SEED TREATMENT COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2001-11-08 — — WO claimed
CN-1956949-A Substituted sulfonamides MERCK & CO INC (US) 2007-05-02 — — CN disclosed
WO-2001082697-A2 SEED TREATMENT COMPOSITION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2001-11-08 — — WO disclosed
US-5068245-A For treatment of plants BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 — — US disclosed
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