SCHEMBL29415443

SCHEMBL29415443

Cc1cccc(N(CCC(=O)O)CCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ GPX4 P36969 1/20 0.43
▸ FFAR1 O14842 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PTGIR P43119 1/20 0.41

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
SCHEMBL2808504 1.00 RAB9A (0.46) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL397442 0.92 GFER (0.54) ALDH1A1HTTGFERTP53CYP3A4
Hydrochloric Acid SCHEMBL11594933 0.91 GFER (0.53) ALDH1A1HTTGFERTP53CYP3A4
SCHEMBL11590659 0.90 RXRA (0.46) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL10893492 0.85 GFER (0.43) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL1250870 0.83 MAPT (0.53) ALDH1A1HTTGFERTP53CYP3A4
SCHEMBL2808762 0.82 ALDH1A1 (0.48) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL11793632 0.82 GFER (0.42) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL9654341 0.81 SMN1; SMN2 (0.52) RAB9AALDH1A1NPC1PAX8JAK2
SCHEMBL8740013 0.81 ALDH1A1 (0.55) ALDH1A1FFAR1CYP3A4LMNAMAPT

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
EP-4204100-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE L'OREAL (FR) 2023-07-05 — — EP disclosed
CN-116322616-A Hair lightening compositions providing damage protection and sensory benefits and methods of use 欧莱雅 2023-06-23 — — CN disclosed
WO-2022047081-A1 HAIR LIGHTENING COMPOSITIONS PROVIDING DAMAGE PROTECTION AND SENSORIAL BENEFITS AND METHODS OF USE HENRY DEREK (US) 2022-03-03 — — WO disclosed
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