SCHEMBL7813264

SCHEMBL7813264

CCc1ccc(Oc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 3/20 0.50
FFAR1 O14842 2/20 0.50
NPC1 O15118 2/20 0.50
NR4A1 P22736 1/20 0.50
APEX1 P27695 1/20 0.50
KMT2A Q03164 1/20 0.50
FKBP1A P62942 1/20 0.50
HSP90AA1 P07900 1/20 0.49

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
SCHEMBL2336059 0.94 ALOX15 (0.61) ALOX15SMN1; SMN2ALDH1A1TSHRRXRA
Formaldehyde SCHEMBL28598974 0.91 ALOX15 (0.57) ALOX15SMN1; SMN2ALDH1A1TSHRRXRA
SCHEMBL23512464 0.89 ALOX15 (0.55) ALOX15SMN1; SMN2ALDH1A1TSHRRXRA
SCHEMBL11552274 0.87 ALOX15 (0.71) ALOX15SMN1; SMN2ALDH1A1TSHRFFAR1
SCHEMBL22065481 0.81 ALOX15 (0.63) ALOX15SMN1; SMN2ALDH1A1TSHRFFAR1
SCHEMBL5009454 0.81 ALOX15 (0.83) ALOX15SMN1; SMN2ALDH1A1RAB9AFFAR1
SCHEMBL339492 0.80 ALOX15 (0.81) ALOX15SMN1; SMN2ALDH1A1TSHRFFAR1
SCHEMBL12612087 0.80 LMNA (0.60) ALOX15SMN1; SMN2ALDH1A1TSHRFFAR1
SCHEMBL11530406 0.79 RAB9A (0.56) SMN1; SMN2ALDH1A1RXRARXRBKDM4E
Diphenylether SCHEMBL27914216 0.79 ALOX15 (0.87) ALOX15SMN1; SMN2ALDH1A1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed