SCHEMBL28089611

SCHEMBL28089611

COc1cccc(C=COC(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.66
MAOB P27338 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
FOS P01100 1/20 0.55
JUN P05412 1/20 0.55
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1B1 Q16678 2/20 0.51
MAOA P21397 1/20 0.51
CYP3A4 P08684 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL17978123 0.93 BCHE (0.59) BCHEMAOBALDH1A1MEN1KMT2A
SCHEMBL17978124 0.91 BCHE (0.58) BCHEMAOBALDH1A1MEN1KMT2A
SCHEMBL11138151 0.82 TTR (0.55) BCHE
SCHEMBL10455847 0.81 PLA2G7 (0.53) BCHEMAOBALDH1A1MEN1KMT2A
SCHEMBL385227 0.81 PLA2G7 (0.53) BCHEMAOBALDH1A1MEN1KMT2A
SCHEMBL28305859 0.80 MAOB (0.47) BCHEMAOBALDH1A1CYP1A2CYP2D6
SCHEMBL21815746 0.79 HSD17B3 (0.53) MAOBALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL21815747 0.79 HSD17B3 (0.53) MAOBALDH1A1KMT2ACYP1A2CYP2D6
SCHEMBL8987299 0.79 BCHE (1.00) BCHEMAOBALDH1A1MEN1KMT2A
SCHEMBL8987297 0.79 BCHE (1.00) BCHEMAOBALDH1A1MEN1KMT2A

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
CN-105218405-B The synthesis technique of (R, S) 2 [[base of 5 (9 fluorenylmethyloxycarbonyl amino) dibenzo [A, D] cycloheptane 2] oxygen] acetic acid 上海泰坦科技股份有限公司 2017-07-28 CN disclosed
CN-104761470-B The preparation method of (R, S)-2-[[5-(9-fluorenylmethyloxycarbonyl amino) dibenzo [a, d] cycloheptane-2-base] oxygen] acetic acid 吉尔生化(上海)有限公司 2016-08-24 CN disclosed
CN-104761470-B The preparation method of (R, S)-2-[[5-(9-fluorenylmethyloxycarbonyl amino) dibenzo [a, d] cycloheptane-2-base] oxygen] acetic acid 吉尔生化(上海)有限公司 2016-08-24 CN disclosed