SCHEMBL28449485

SCHEMBL28449485

CCCCc1ccc(C(CC)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
RARB P10826 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SHBG P04278 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL15657268 0.83 HTR2A (0.53) HTR2AALDH1A1HSD17B10HPGDCA2
SCHEMBL28218451 0.83 HTR2A (0.45) HTR2AALDH1A1HSD17B10HPGDCA2
SCHEMBL2494565 0.82 CA2 (0.52) HTR2AALDH1A1HSD17B10HPGDCA2
SCHEMBL8100328 0.82 MAOB (0.59) HTR2AALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL5953374 0.82 HTR2A (0.47) HTR2AALDH1A1HSD17B10HPGDCA2
SCHEMBL8094049 0.82 MAOB (0.53) HTR2AALDH1A1CYP3A4
SCHEMBL6547906 0.81 HTR2A (0.54) HTR2AADRA2ASLC6A2SLC6A4SLC6A3
SCHEMBL10977710 0.81 CA2 (0.47) HTR2AALDH1A1HSD17B10HPGDCA2
SCHEMBL83869 0.81 CA2 (0.65) HTR2AALDH1A1HSD17B10HPGDCA2
SCHEMBL8100397 0.80 MAOB (0.57) HTR2AALDH1A1HSD17B10HPGDSMN1; SMN2

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
CN-113165236-A Polybutylene terephthalate resin composition and double-molded article 宝理塑料株式会社 2021-07-23 CN disclosed
CN-111465900-A Photosensitive resin composition, photosensitive material, display device, and method for low-temperature curing of photosensitive resin composition 株式会社LG化学 2020-07-28 CN disclosed