SCHEMBL11333383

SCHEMBL11333383

C1=CC(c2ccccc2)C(c2ccccc2)CC1.Clc1ccc(C2C=CCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
KDM1A O60341 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CNR1 P21554 1/20 0.31
MDM2 Q00987 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL11881101 0.82 HTR3A (0.40) SLC6A3MDM2
SCHEMBL18312349 0.82 HTR3A (0.40) SLC6A3MDM2
SCHEMBL21531502 0.79 CYP2C19 (0.39) MEN1KMT2A
SCHEMBL18304604 0.79 CYP2C19 (0.39) MEN1KMT2A
SCHEMBL11324658 0.79 MAOB (0.41) SLC6A3KDM1AMAOAMAOBMEN1
SCHEMBL1052889 0.79 CYP2C19 (0.39) MEN1KMT2A
SCHEMBL16398622 0.75 ALOX15 (0.38) SLC6A3
SCHEMBL16398624 0.75 ALOX15 (0.38) SLC6A3
SCHEMBL20562176 0.74 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL20562177 0.74 ALDH1A1 (0.38) MEN1KMT2A

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
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed