SCHEMBL9060540

SCHEMBL9060540

OC1CCCCC1c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
MTNR1A P48039 2/20 0.45
MTNR1B P49286 1/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
EPHX1 P07099 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
SCHEMBL9060529 1.00 KDM1A (0.53) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL9060534 1.00 KDM1A (0.53) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL3863496 1.00 KDM1A (0.53) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL6399776 0.81 IDO1 (0.45) MEN1KMT2AIDO1
SCHEMBL13997856 0.79 HPRT1 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL28441445 0.77 KDM1A (0.51) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL6396779 0.77 IDO1 (0.45) KDM1AMEN1KMT2AIDO1
SCHEMBL6042859 0.77 KDM1A (0.47) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL18092822 0.76 KDM1A (0.50) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL9387582 0.76 KMT2A (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8322590-A None JP disclosed
JP-8322590-A None JP disclosed
CN-113354515-A Synthesis method of chiral trans-2-substituted cycloalkanol 中国科学院大连化学物理研究所 2021-09-07 CN disclosed
CN-107382803-B A kind of preparation method of beta-hydroxy phenyl selenide compound 温州大学 2019-03-29 CN disclosed
CN-107382803-A A kind of preparation method of β hydroxy phenyls selenide compound 温州大学 2017-11-24 CN disclosed
JP-H08322590-A OPTICALLY ACTIVE 2-(1-NAPHTHYL)CYCLOHEXAN-1-OL DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1996-12-10 JP disclosed
JP-H08322590-A OPTICALLY ACTIVE 2-(1-NAPHTHYL)CYCLOHEXAN-1-OL DERIVATIVE AND ITS PRODUCTION CHISSO CORP 1996-12-10 JP disclosed
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 US disclosed