SCHEMBL11583134

SCHEMBL11583134

Cc1ccc(O)cc1NCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ YES1 P07947 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ EPHA1 P21709 1/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ EPHA3 P29320 1/20 0.38

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
SCHEMBL11581621 0.78 CYP3A4 (0.58) CYP3A4TSHRRECQLLMNAALDH1A1
SCHEMBL4572861 0.77 MAPT (0.55) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL11739281 0.76 ALDH1A1 (0.38) CYP3A4TSHRRECQLLMNAALDH1A1
SCHEMBL126869 0.76 TSHR (1.00) CYP3A4TSHRRECQLLMNAALDH1A1
SCHEMBL28530092 0.74 TSHR (0.96) CYP3A4TSHRRECQLLMNAALDH1A1
Potassium SCHEMBL30495501 0.74 TSHR (0.96) CYP3A4TSHRRECQLLMNAALDH1A1
Potassium SCHEMBL30495500 0.74 TSHR (0.96) CYP3A4TSHRRECQLLMNAALDH1A1
SCHEMBL21635494 0.73 CYP3A4 (0.72) CYP3A4TSHRRECQLALDH1A1GAA
SCHEMBL459121 0.73 CYP3A4 (0.67) CYP3A4TSHRRECQLALDH1A1GAA
Sulfuric Acid SCHEMBL3336768 0.72 TSHR (0.83) CYP3A4TSHRRECQLLMNAALDH1A1

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
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US claimed
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US disclosed
US-4101576-A COUPLERS FOR HAIR DYES L'OREAL (FR) 1978-07-18 — — US disclosed
Send feedback