SCHEMBL7336256

SCHEMBL7336256

Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GSTP1 P09211 1/20 0.46
TTPA P49638 1/20 0.46
THRB P10828 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP4F2 P78329 1/20 0.46
NR1I2 O75469 2/20 0.46
ACHE P22303 3/20 0.45
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44

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
Hydrochloric Acid SCHEMBL8814353 0.99 MAPT (0.46) MAPTLMNAUSP2CYP2C9KMT2A
Hydrochloric Acid SCHEMBL7331438 0.98 MAPT (0.45) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL7335483 0.90 USP2 (0.54) MAPTLMNAUSP2CYP2C9KMT2A
Hydrochloric Acid SCHEMBL7335128 0.89 ALOX5 (0.46) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL7558938 0.87 ACHE (0.43) MAPTLMNACYP2C9KMT2AMEN1
Hydrochloric Acid SCHEMBL7336927 0.86 HRH1 (0.44) MAPTLMNAUSP2CYP2C9KMT2A
Hydrochloric Acid SCHEMBL9287019 0.84 MAPT (0.43) MAPTLMNAUSP2CYP2C9KMT2A
Hydrochloric Acid SCHEMBL7328648 0.80 LMNA (0.56) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL8540688 0.78 PTGS1 (0.45) MAPTLMNAUSP2CYP2C9KMT2A
SCHEMBL7329145 0.78 PTGS1 (0.50) LMNAACHECYP3A4TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646149-A N,N*-SUBSTITUTED PIPERAZINE DERIVATIVES; VISION DEFECTS ALCON LABORATORIES, INC. (US) 1997-07-08 US disclosed
WO-1995015958-A1 COMPOUNDS HAVING BOTH POTENT CALCIUM ANTAGONIST AND ANTIOXIDANT ACTIVITY AND USE THEREOF AS CYTOPROTECTIVE AGENTS ALCON LABORATORIES, INC. (US) 1995-06-15 WO disclosed