SCHEMBL4705622

SCHEMBL4705622

[CH2]C(CCc1cccc(C)c1)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.49
HRH3 Q9Y5N1 3/20 0.41
DAO P14920 4/20 0.41
IDO1 P14902 2/20 0.40
GPR84 Q9NQS5 1/20 0.39
CYP19A1 P11511 1/20 0.38
ACHE P22303 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4705618 0.85 GAA (0.40) TAAR1CYP19A1ACHE
SCHEMBL4952650 0.81 TAAR1 (0.50) TAAR1HRH3DAOIDO1GPR84
SCHEMBL4951464 0.77 MAPK1 (0.38) TAAR1CYP19A1ALDH1A1
SCHEMBL3056983 0.74 TAAR1 (0.59) TAAR1HRH3DAOIDO1GPR84
SCHEMBL4953940 0.74 TAAR1 (0.63) TAAR1HRH3DAOIDO1GPR84
SCHEMBL4460308 0.73 IDO1 (0.49) TAAR1DAOIDO1
SCHEMBL29596752 0.73 TAAR1 (0.74) TAAR1HRH3DAOIDO1GPR84
SCHEMBL8096473 0.73 TAAR1 (0.74) TAAR1HRH3DAOIDO1GPR84
SCHEMBL21868801 0.73 TAAR1 (0.62) TAAR1HRH3DAOIDO1GPR84
SCHEMBL8208663 0.72 TAAR1 (0.52) TAAR1HRH3DAOIDO1CYP19A1

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-0977754-B1 WRITABLE AND ERASABLE HIGH-DENSITY OPTICAL STORAGE MEDIA CIBA SC HOLDING AG (CH) 2008-01-16 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed