SCHEMBL28801710

SCHEMBL28801710

Clc1ccc(CC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
C3AR1 Q16581 1/20 0.39
SLC22A2 O15244 1/20 0.38
SLC22A3 O75751 1/20 0.38
MDM2 Q00987 3/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL17022656 0.89 HTR2A (0.56) HTR2AMAPTSLC22A2SLC22A3CA1
SCHEMBL3918548 0.83 HTR2A (0.54) HTR2AALDH1A1MEN1MAPTKMT2A
SCHEMBL24270335 0.83 MAOB (0.47) MAOBALDH1A1MEN1MAPTKMT2A
SCHEMBL29007602 0.78 RAB9A (0.53) MAOBALDH1A1MEN1MAPTKMT2A
SCHEMBL29145549 0.77 CYP11B1 (0.44) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL30633024 0.77 CYP11B1 (0.44) ALDH1A1MEN1MAPTKMT2ARAB9A
SCHEMBL8111113 0.76 CYP19A1 (0.47) HTR2AMAPTRAB9ACA1CA2
SCHEMBL17500316 0.76 HTR2A (0.42) HTR2AALDH1A1MAPTRAB9ACA1
Hydrochloric Acid SCHEMBL9719344 0.74 CYP19A1 (0.46) HTR2AMAPTRAB9A
Alcohol SCHEMBL16265494 0.74 HTR2A (0.45) HTR2AMAPTSLC22A2SLC22A3BCHE

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-103204757-B Method for synthesizing single-alkyl fluorene UNIV WENZHOU 2014-11-19 CN disclosed
CN-103012025-A Alkylation method of fluorene UNIV WENZHOU 2013-04-03 CN disclosed