SCHEMBL27328867

SCHEMBL27328867

O=C(O)CC1(O)C=Cc2ccccc2C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.36
MME P08473 1/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
AVPR2 P30518 1/20 0.31
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31

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
SCHEMBL11741518 0.79 HSD11B1 (0.36) HSD11B1MMEPKMKMT2AAKR1B1
SCHEMBL159193 0.79 HSD11B1 (0.36) HSD11B1MMEPKMKMT2AMAOA
SCHEMBL4679449 0.79 HSD11B1 (0.36) HSD11B1MMEAVPR2OXTRAVPR1A
SCHEMBL10587681 0.79 LMNA (0.38) HSD11B1MAOAMAOB
SCHEMBL6059687 0.76 HSD11B1 (0.33) HSD11B1MME
SCHEMBL7529245 0.75 CA1 (0.35) MMEMAOAMAOBHDAC9
SCHEMBL8068895 0.73 MAOA (0.35) MMEMAOAMAOBHDAC9
SCHEMBL258234 0.71 PARP1 (0.36) MAOB
SCHEMBL31520302 0.71 PARP1 (0.36) MAOB
SCHEMBL28845170 0.71 ALDH1A1 (0.34)

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-1007727-B PROCESS FOR THE PREPARATION OF TETRAHYDRONAPHTALINE DERIVATIVES HOFFMANN LA ROCHE (CH) 1990-04-25 CN disclosed
CN-85107496-A The method for preparing tetrahydronaphthalenderivatives derivatives 1986-07-23 CN disclosed