SCHEMBL182198

SCHEMBL182198

Cn1cc2c(c1)OCCCO2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
HTR2C P28335 3/20 0.33
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTR2B P41595 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL182227 0.88 ITGB2 (0.43) ITGB2ICAM1ITGALSMN1; SMN2PKM
SCHEMBL182879 0.77 PKM (0.32) HTR2CHTR1AHTR1DHTR2AHTR2B
SCHEMBL3251038 0.73 GRM5 (0.33) PKMALDH1A1
SCHEMBL3250243 0.72 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL182518 0.71 NPC1 (0.40) SMN1; SMN2CYP2C19NPC1ALDH1A1RAB9A
SCHEMBL182313 0.69 SMN1; SMN2 (0.38) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL19121395 0.67 FFAR4 (0.42) SMN1; SMN2PKMCYP2C19HPGDNPC1
SCHEMBL29408297 0.65 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL9351 0.65 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2HPGD
SCHEMBL8023323 0.65 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2HPGD

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 7 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
EP-1465962-B1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIV FLORIDA (US) 2012-01-04 EP disclosed
EP-1931630-B1 N-SUBSTITUTED 3,4-ALKYLENEDIOXYPYRROLES, ESTER SUBSTITUTED DIHYDROXYPYRROLES AND METHODS FOR SYNTHESIS OF THESE PYRROLES UNIV FLORIDA (US) 2010-05-12 EP disclosed
EP-1465962-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2004-10-13 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
WO-2003046106-A1 ELECTROCHROMIC POLYMERS AND POLYMER ELECTROCHROMIC DEVICES UNIVERSITY OF FLORIDA (US) 2003-06-05 WO disclosed