SCHEMBL9399102

SCHEMBL9399102

CCCCCc1ccc(OC[C@H]2CC[C@H](CCCCC)CC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
CNR1 P21554 5/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
MTNR1A P48039 1/20 0.36
HPGD P15428 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9399773 0.87 CNR2 (0.43) CNR2CNR1
SCHEMBL9398656 0.86 CNR2 (0.45) CNR2CNR1TSHR
SCHEMBL9399835 0.85 CNR2 (0.47) CNR2CNR1TSHR
SCHEMBL9398783 0.85 CNR2 (0.47) CNR2CNR1TSHR
SCHEMBL9398919 0.84 RAB9A (0.34) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL9398909 0.84 RAB9A (0.34) CNR2CNR1ALDH1A1MEN1KMT2A
SCHEMBL9399960 0.83 ESR1 (0.43) PARP15PARP10HPGD
SCHEMBL10708512 0.82 PARP10 (0.41) CNR2CNR1PARP15PARP10MTNR1A
SCHEMBL10709577 0.81 CNR2 (0.41) CNR2CNR1PARP15PARP10MTNR1A
SCHEMBL9399424 0.81 ACACB (0.43) PARP15PARP10

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
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed