SCHEMBL7516991

SCHEMBL7516991

Cc1cc(OCCO)cc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 4/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38
MCL1 Q07820 2/20 0.38
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
IKBKB O14920 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11706025 0.90 TP53 (0.46) TSHRCYP1A2POLBCYP2D6CYP2C19
SCHEMBL5359909 0.83 MAPT (0.45) TSHRPOLBTP53ALDH1A1LMNA
SCHEMBL3916117 0.82 ALDH1A1 (0.43) TSHRCYP1A2POLBCYP2D6CYP2C19
SCHEMBL25231418 0.81 TP53 (0.45) TSHRCYP1A2POLBCYP2D6CYP2C19
SCHEMBL25242022 0.81 ALDH1A1 (0.41) TSHRCYP1A2POLBCYP2D6CYP2C19
SCHEMBL7792575 0.79 ALDH1A1 (0.41) ALDH1A1RECQLNR1I2CYP3A4SLC6A2
SCHEMBL6459850 0.79 TP53 (0.47) TSHRCYP1A2POLBCYP2D6CYP2C19
SCHEMBL5550274 0.78 SLC6A2 (0.45) TP53ALDH1A1RECQLMCL1NR1I2
SCHEMBL29502972 0.78 SLC6A2 (0.45) TP53ALDH1A1RECQLMCL1NR1I2
SCHEMBL5453470 0.78 ALDH1A1 (0.47) TSHRCYP1A2POLBCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722713-B1 Composition for oxidative dyeing of keratin fibers and process of dyeing using that composition OREAL (FR) 1997-08-06 EP claimed
EP-1227785-A2 PROCESS FOR PRODUCING A HAIRDYE COMPOSITION Lion Corporation (JP) 2002-08-07 EP disclosed
EP-1189576-A2 HAIR COMPOSITION COMPRISING AN OXIDASE AND CYCLODEXTRIN Lion Corporation (JP) 2002-03-27 EP disclosed
EP-1187596-A2 HAIRDYE COMPOSITION COMPRISING INDOLINE AND/OR AN INDOLINE COMPOUND AND LACCASE Lion Corporation (JP) 2002-03-20 EP disclosed
EP-1165027-A1 HAIRDYE COMPOSITION OF SINGLE PREPARATION TYPE CONTAINING AN OXIDASE Lion Corporation (JP) 2002-01-02 EP disclosed
WO-2001068042-A1 METHOD FOR DYEING DRY HAIR NOVOZYMES A/S (DK) 2001-09-20 WO disclosed
WO-2001000144-A2 HAIR COMPOSITION COMPRISING AN OXIDASE AND CYCLODEXTRIN LION CORPORATION (JP) 2001-01-04 WO disclosed
WO-2000078273-A2 PROCESS FOR PRODUCING A HAIRDYE COMPOSITION LION CORPORATION (JP) 2000-12-28 WO disclosed
WO-2000078274-A2 HAIRDYE COMPOSITION COMPRISING INDOLINE AND/OR AN INDOLINE COMPOUND AND LACCASE LION CORPORATION (JP) 2000-12-28 WO disclosed
WO-2000059459-A1 HAIRDYE COMPOSITION OF SINGLE PREPARATION TYPE CONTAINING AN OXIDASE LION CORPORATION (JP) 2000-10-12 WO disclosed