SCHEMBL5030836

SCHEMBL5030836

CCCCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.60
TSHR P16473 4/20 0.60
LMNA P02545 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 2/20 0.60
MAPK1 P28482 1/20 0.60
NR1H2 P55055 1/20 0.60
RNASEL Q05823 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 1/20 0.59
PDE4D Q08499 1/20 0.59
HPGD P15428 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
STS P08842 7/20 0.52

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
SCHEMBL6788941 0.95 ESR1 (0.66) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL31575839 0.91 ALDH1A1 (0.63) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL13996230 0.87 ESR1 (0.77) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL5028687 0.87 ESR1 (0.77) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL13996233 0.87 PPARD (0.50) ESR1CYP1A2CYP2C19NR1H2SMN1; SMN2
SCHEMBL5030924 0.87 PPARD (0.50) ESR1CYP1A2CYP2C19NR1H2SMN1; SMN2
SCHEMBL14107670 0.86 ALDH1A1 (0.64) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL10869670 0.85 STS (0.54) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL2294507 0.84 MAPT (0.57) ESR1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL14930468 0.84 KDM4E (0.53) TSHRCYP1A2CYP2C19CYP3A4PDE4D

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-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 US disclosed
US-7459263-B2 Optical recording media with triplet-sensitized isomerization EASTMAN KODAK COMPANY (US) 2008-12-02 US disclosed
US-20050136357-A1 Optical recording media with triplet-sensitzed isomerization FPC INC. 2005-06-23 US disclosed