SCHEMBL9399862

SCHEMBL9399862

CCCCCc1ccc(-c2ncc(CC[C@H]3CC[C@H](CCCCC)CC3)cn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RAB9A P51151 6/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CNR2 P34972 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL9399866 1.00 RARB (0.41) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL10613454 0.93 RARB (0.44) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL10613449 0.93 RARB (0.44) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL10611677 0.91 RARB (0.44) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL10611686 0.91 RARB (0.44) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL10610408 0.90 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL10610416 0.90 RARB (0.43) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL9649673 0.90 RARB (0.41) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL9649663 0.90 RARB (0.41) RARBRAB9AMAPTSMN1; SMN2GAA
SCHEMBL9399236 0.89 GAA (0.38) RARBRAB9AMAPTSMN1; SMN2GAA

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 6 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