SCHEMBL7976690

SCHEMBL7976690

C[C@H](Oc1ccc2cc(C(=O)C=CN3CCOCC3)ccc2c1)[C@H](O)CCc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
ALOX12 P18054 2/20 0.45
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1B1 Q16678 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.38
PTAFR P25105 8/20 0.37

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
SCHEMBL7976695 0.81 RAB9A (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7982982 0.79 FKBP1A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL7982986 0.79 FKBP1A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL7966412 0.78 USP2 (0.44) USP2ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL7982583 0.74 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4SMN1; SMN2POLB
SCHEMBL7982797 0.74 CYP1A2 (0.47) ALDH1A1CYP1A2CYP3A4SMN1; SMN2POLB
SCHEMBL7966316 0.73 MEN1 (0.44) CYP1A1CYP1A2CYP3A4CYP2D6CYP1B1
SCHEMBL7966314 0.73 MEN1 (0.44) CYP1A1CYP1A2CYP3A4CYP2D6CYP1B1
SCHEMBL7966317 0.73 MEN1 (0.44) CYP1A1CYP1A2CYP3A4CYP2D6CYP1B1
Oxalic Acid SCHEMBL7978632 0.71 MAPT (0.43) ALDH1A1MAPTRAB9AHPGDMEN1

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed