SCHEMBL28804356

SCHEMBL28804356

C=C(Cc1ccccc1C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CTBP2 P56545 1/20 0.47
MAOA P21397 6/20 0.42
MAOB P27338 6/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
SHBG P04278 1/20 0.38

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
SCHEMBL6546074 0.87 ALDH1A1 (0.40) HPGDALDH1A1CTBP2MAOAMAOB
SCHEMBL6546078 0.82 RAB9A (0.43) MAOAMAOBMEN1MAPTKMT2A
SCHEMBL6546767 0.80 MAOA (0.53) HPGDALDH1A1CTBP2MAOAMAOB
SCHEMBL6546362 0.80 MAOA (0.42) ALDH1A1MAOAMAOBMAPT
SCHEMBL6547302 0.78 GABRA1 (0.39) HPGDALDH1A1MAOAMAOBMAPT
SCHEMBL31112285 0.78 AKR1B1 (0.57) MAOAMAOBTAAR1
SCHEMBL6547299 0.77 MAOA (0.40) MAOAMAOB
SCHEMBL18543737 0.77 CTBP2 (0.47) HPGDALDH1A1CTBP2MAOBTAAR1
SCHEMBL24651175 0.77 NPC1 (0.40) ALDH1A1CTBP2MAOAMAOBMEN1
SCHEMBL159113 0.76 ALDH1A1 (0.56) HPGDALDH1A1CTBP2MEN1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110114377-B Novel compositions and methods for block copolymer self-assembly 默克专利有限公司 2022-06-03 CN disclosed