SCHEMBL8953537

SCHEMBL8953537

COc1cccc(CC(O)C(=O)O)c1.COc1cccc(CC(O)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
CYP1A2 P05177 1/20 0.54
CTBP2 P56545 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM6B O15054 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP13 P45452 1/20 0.49
LMNA P02545 1/20 0.49
PPARA Q07869 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL28019828 1.00 TAAR1 (0.58) TAAR1CYP1A2CTBP2MEN1KMT2A
SCHEMBL7511969 1.00 TAAR1 (0.58) TAAR1CYP1A2CTBP2MEN1KMT2A
SCHEMBL1368547 1.00 TAAR1 (0.58) TAAR1CYP1A2CTBP2MEN1KMT2A
SCHEMBL28020294 0.86 TAAR1 (0.57) TAAR1MEN1KMT2AHIF1AALDH1A1
SCHEMBL4594693 0.86 TAAR1 (0.57) TAAR1MEN1KMT2AHIF1AALDH1A1
SCHEMBL8953540 0.84 PPARA (0.50) TAAR1CYP1A2CTBP2MEN1KMT2A
SCHEMBL12191887 0.84 TAAR1 (0.63) TAAR1CYP1A2CTBP2MEN1KMT2A
SCHEMBL27836008 0.84 PPARG (0.59) KDM6BPPARA
SCHEMBL12191881 0.84 TAAR1 (0.63) TAAR1CYP1A2CTBP2MEN1KMT2A
SCHEMBL5740450 0.84 TAAR1 (0.63) TAAR1CYP1A2CTBP2MEN1KMT2A

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-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed