SCHEMBL3750200

SCHEMBL3750200

Cc1cc(C)c(-c2cccc(P)c2-c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.37
PDK2 Q15119 1/20 0.37
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ELANE P08246 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BRCA1 P38398 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAPGEF4 Q8WZA2 4/20 0.32
MYC P01106 1/20 0.32

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
SCHEMBL30317430 0.83 CRHR1 (0.39) CRHR1PDK2ACHECYP1A2CYP2A6
SCHEMBL7896719 0.78 CRHR1 (0.39) CRHR1PDK2ACHECYP1A2CYP2A6
SCHEMBL7899006 0.78 CRHR1 (0.36) CRHR1PDK2ACHECYP1A2CYP2A6
SCHEMBL7908991 0.78 CRHR1 (0.36) CRHR1PDK2ACHECYP1A2CYP2A6
SCHEMBL8038390 0.75 LMNA (0.43) CRHR1PDK2CYP1A2CYP2A6KDM4E
SCHEMBL11552812 0.74 ACHE (0.45) ACHECYP1A2CYP2A6ALDH1A1KDM4E
SCHEMBL6745620 0.74 ALDH1A1 (0.44) CRHR1PDK2ACHEALDH1A1KDM4E
SCHEMBL16050969 0.74 CRHR1 (0.39) CRHR1PDK2ACHECYP1A2CYP2A6
SCHEMBL9509317 0.74 RAPGEF4 (0.47) CRHR1PDK2ACHECYP1A2CYP2A6
SCHEMBL16219593 0.74 RAPGEF4 (0.40) CRHR1PDK2ACHECYP1A2CYP2A6

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
US-7833443-B2 Molds for producing contact lenses JOHNSON & JOHNSON VISION CARE, INC. (US) 2010-11-16 US disclosed