SCHEMBL8535693

SCHEMBL8535693

CC(=O)NCCNc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
F13A1 P00488 1/20 0.59
MAPT P10636 7/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CYP1A1 P04798 2/20 0.53
CYP3A4 P08684 2/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
MB P02144 1/20 0.53
CA3 P07451 1/20 0.53
RARG P13631 1/20 0.53

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
Sulfuric Acid SCHEMBL8540368 0.93 KDM4E (0.53) KDM4EF13A1MAPTALDH1A1MEN1
SCHEMBL171693 0.85 MAPT (0.65) KDM4EF13A1MAPTALDH1A1MEN1
SCHEMBL10826205 0.83 MTNR1A (0.50) KDM4EF13A1MAPTALDH1A1MEN1
SCHEMBL11843114 0.82 MTNR1A (0.61) KDM4EMAPTALDH1A1KMT2ACA12
SCHEMBL1161861 0.81 APP (0.55) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14756953 0.80 ALDH1A1 (0.58) KDM4EF13A1MAPTALDH1A1CA12
SCHEMBL8145090 0.79 MTNR1A (0.50) KDM4EF13A1ALDH1A1CA12CA4
SCHEMBL11249897 0.79 MTNR1A (0.50) KDM4EF13A1MAPTALDH1A1KMT2A
SCHEMBL20964518 0.79 ALDH1A1 (0.47) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL2156590 0.78 KDM4E (0.51) KDM4EF13A1MAPTALDH1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630642-B1 Naphthol couplers BRISTOL MYERS SQUIBB CO (US) 1998-08-12 EP claimed
EP-0630642-A1 Naphthol couplers Bristol-Myers Company (US) 1994-12-28 EP claimed
US-5344463-A OXIDATION CLAIROL, INC. (US) 1994-09-06 US claimed
EP-0630642-B1 Naphthol couplers BRISTOL MYERS SQUIBB CO (US) 1998-08-12 EP disclosed
EP-0630642-A1 Naphthol couplers Bristol-Myers Company (US) 1994-12-28 EP disclosed
US-5344463-A OXIDATION CLAIROL, INC. (US) 1994-09-06 US disclosed