SCHEMBL11629129

SCHEMBL11629129

CCOc1c(C(C)N)cc2c(c1OC)CCC2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 1/20 0.32
NLRP3 Q96P20 7/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ACACB O00763 1/20 0.30
PLAU P00749 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
SCHEMBL11625490 0.90 MEN1 (0.35) POLBMEN1KMT2ANLRP3
SCHEMBL11629132 0.76 HTR2A (0.43) POLBGAATSHRALDH1A1HPGD
SCHEMBL11666838 0.75 NCOA1 (0.37) GAATSHRALDH1A1HPGDHTR2C
SCHEMBL11629337 0.74 MEN1 (0.56) POLBGAATSHRALDH1A1HPGD
SCHEMBL11628689 0.74 HTR2C (0.37) HTR2C
SCHEMBL10328387 0.72 NLRP3 (0.40) POLBGAATSHRALDH1A1HPGD
SCHEMBL11627756 0.70 POLB (0.30) POLBGAATSHRALDH1A1HPGD
SCHEMBL11483040 0.68 CYP3A4 (0.39) POLBGAAKDM4EMAPT
SCHEMBL11623045 0.68 MEN1 (0.37) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL11627586 0.68 ALDH1A1 (0.45) POLBGAATSHRALDH1A1HPGD

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
US-4071562-A 4,5-Dialkoxy-6 or 7-indanaldehydes MARION LABORATORIES, INC. (US) 1978-01-31 US disclosed
US-3963723-A HYPOTENSIVE MARION LABORATORIES, INC. (US) 1976-06-15 US disclosed
US-3962254-A HYPOTENSIVE AGENTS MARION LABORATORIES, INC. (US) 1976-06-08 US disclosed