SCHEMBL20805917

SCHEMBL20805917

N#C/C(=C/C=C/N1CCOCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.50
▸ ALDH1A1 P00352 8/20 0.43
▸ GAA P10253 2/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 8/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ USP2 O75604 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL23140679 1.00 RECQL (0.50) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL23140678 1.00 RECQL (0.50) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL12310405 0.85 KMT2A (0.46) RECQLALDH1A1GAAKMT2AMEN1
SCHEMBL14629850 0.85 KMT2A (0.46) RECQLALDH1A1GAAKMT2AMEN1
SCHEMBL12294071 0.82 RECQL (0.68) RECQLALDH1A1GAAKMT2AMEN1
SCHEMBL23140710 0.82 RECQL (0.68) RECQLALDH1A1GAAKMT2AMEN1
SCHEMBL23140711 0.82 RECQL (0.68) RECQLALDH1A1GAAKMT2AMEN1
SCHEMBL17527719 0.82 RECQL (0.52) RECQLALDH1A1GAAKMT2AMEN1
SCHEMBL12758229 0.78 RECQL (0.49) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL15761698 0.75 RECQL (0.45) RECQLALDH1A1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019143-B1 COMPOSITION COMPRISING A WATER-INSOLUBLE SOLID ORGANIC UV-SCREENING AGENT AND A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS OREAL (FR) 2019-03-13 — — EP disclosed
Send feedback