SCHEMBL21784682

SCHEMBL21784682

CCOC(=O)Cc1cc(F)ccc1C1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
OXTR P30559 2/20 0.39
AVPR1A P37288 2/20 0.39
CFTR P13569 1/20 0.39
HPGD P15428 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
OPRM1 P35372 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
SCHEMBL21767410 0.88 CFTR (0.45) ALDH1A1KDM4ELMNAOXTRAVPR1A
SCHEMBL31071992 0.88 CFTR (0.45) ALDH1A1KDM4ELMNAOXTRAVPR1A
SCHEMBL29429452 0.85 CFTR (0.42) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL31072015 0.85 CFTR (0.42) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL21767551 0.85 CFTR (0.42) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL21780595 0.85 CFTR (0.42) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL21767420 0.85 CFTR (0.42) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL31071934 0.85 CFTR (0.42) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL21767595 0.79 PTGDR2 (0.40) KDM4ELMNACFTRHPGDCYP1A2
SCHEMBL21767405 0.79 PTGDR2 (0.40) KDM4ELMNACFTRHPGDCYP1A2

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
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed