SCHEMBL9620266

SCHEMBL9620266

COc1ccc([C@@H]2CC(O)C[C@H](c3ccc(OC)cc3)S2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
MAP2K1 Q02750 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTR2C P28335 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 1/20 0.37
GID4 Q8IVV7 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 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
SCHEMBL9620268 1.00 KDM1A (0.47) KDM1AMAOAMAOBMAP2K1ALDH1A1
SCHEMBL11095033 0.80 MAOA (0.46) KDM1AMAOAMAOBMAP2K1HTR2C
SCHEMBL11088436 0.79 MAOA (0.47) KDM1AMAOAMAOBMAP2K1HTR2C
SCHEMBL20187431 0.79 KDM1A (0.52) KDM1AMAOAMAOBALDH1A1HTR2C
SCHEMBL11088930 0.75 MAPK1 (0.46) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL11088416 0.75 MAPK1 (0.46) KDM1AMAOAMAOBALDH1A1RAB9A
SCHEMBL9620320 0.75 ALDH1A1 (0.37) KDM1AALDH1A1HTR2CMAPK1
SCHEMBL11971251 0.74 MAP2K1 (0.53) KDM1AMAOAMAOBMAP2K1ALDH1A1
SCHEMBL11971054 0.74 MAP2K1 (0.53) KDM1AMAOAMAOBMAP2K1ALDH1A1
SCHEMBL11971253 0.74 MAP2K1 (0.53) KDM1AMAOAMAOBMAP2K1ALDH1A1

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
US-5149828-A Tetrahydropyran compounds CIBA-GEIGY AG (CH) 1992-09-22 US disclosed
EP-0310552-B1 STABILIZERS FOR COLOUR PHOTOGRAPHIC RECORDING MATERIALS CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
US-4933271-A Stabilizers for color photography recording materials CIBA-GEIGY AG (CH) 1990-06-12 US disclosed
EP-0310552-A1 Stabilizers for colour photographic recording materials CIBA-GEIGY AG (CH) 1989-04-05 EP disclosed