SCHEMBL182772

SCHEMBL182772

N#C/C(=[C]/c1scc2c1OCCO2)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
HPGD P15428 7/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CTNNB1 P35222 2/20 0.36
GAA P10253 2/20 0.35
TP53 P04637 3/20 0.34
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 2/20 0.33
BAZ2B Q9UIF8 1/20 0.33
HSD17B10 Q99714 3/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
NPSR1 Q6W5P4 2/20 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
SCHEMBL2085459 0.70 BAZ2B (0.41) HPGDALDH1A1GAATSHRBAZ2B
SCHEMBL2284309 0.67 BAZ2B (0.41) HPGDALDH1A1GAATSHRBAZ2B
SCHEMBL2284314 0.67 BAZ2B (0.41) HPGDALDH1A1GAATSHRBAZ2B
SCHEMBL2762808 0.65 RPS6KB2 (0.47) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL2722084 0.64 RAB9A (0.34) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL15989494 0.60 RPS6KB2 (0.42) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL11198165 0.59 CES2 (0.50) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL11198155 0.59 CES2 (0.50) NPC1RAB9AHPGDALDH1A1SMN1; SMN2
SCHEMBL24762447 0.58 BAZ2B (0.44) HPGDALDH1A1SMN1; SMN2GAATSHR
SCHEMBL982629 0.58 BAZ2B (0.49) HPGDALDH1A1SMN1; SMN2GAAKDM4E

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
EP-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
US-6791738-B2 CONTROLLING COLOR, BRIGHTNESS AND ENVIRONMENTAL STABILITY; POLY- 3,4-ALKYLENEDIOXYHETEROCYCLES UNIVERSITY OF FLORIDA 2004-09-14 US disclosed
US-20030174377-A1 Electrochromic polymers and polymer electrochromic devices UNIVERSITY OF FLORIDA 2003-09-18 US disclosed