SCHEMBL9469689

SCHEMBL9469689

O=C1C(c2ccccc2)CC=C(c2ccccc2)C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
GOPC Q9HD26 1/20 0.53
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2B P41595 1/20 0.37
KMT2A Q03164 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8516623 0.79 CFTR (0.50) CFTRGOPCLMNACYP1A2CYP3A4
SCHEMBL5729305 0.69 CFTR (1.00) CFTRGOPCMAPTLMNAMAPK1
SCHEMBL10717574 0.67 MAPT (0.42) CFTRGOPCMAPTTP53LMNA
SCHEMBL13783154 0.67 CFTR (0.42) CFTRGOPCLMNACYP1A2CYP3A4
SCHEMBL13782120 0.67 CFTR (0.50) CFTRGOPCCYP19A1CTRC
SCHEMBL28176409 0.66 MAPT (0.41) CFTRGOPCMAPTTP53LMNA
SCHEMBL11122355 0.64 TSHR (0.40) CFTRGOPCMAPTTP53LMNA
SCHEMBL1673372 0.64 ALDH1A1 (0.40) CFTRGOPCALDH1A1MAOAMAOB
SCHEMBL1673336 0.64 ALDH1A1 (0.40) CFTRGOPCALDH1A1MAOAMAOB
SCHEMBL16857693 0.64 ALDH1A1 (0.40) CFTRGOPCALDH1A1MAOAMAOB

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-5243016-A Improved solubility, polyimides, polyether ketones, polyesters, polyether sulfones HAY ALLAN S (CA) 1993-09-07 US disclosed
US-5182358-A Polyetherketones, polyethersulfone, polyetherimides, solubility in organic solvents HAY ALLAN S (CA) 1993-01-26 US disclosed