SCHEMBL14922680

SCHEMBL14922680

CCCOc1ccc(C2CCC(OC(=O)C3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14922689 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922603 0.95 SCN9A (0.38) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922683 0.95 SCN9A (0.38) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922394 0.94 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922631 0.94 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922591 0.93 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922685 0.93 SCN9A (0.39) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL14922635 0.93 SCN9A (0.39) SMN1; SMN2MEN1KMT2AHPGDALDH1A1
SCHEMBL22277517 0.90 GABRA1 (0.32) ALDH1A1LMNAFFAR4HTR2CHTR2B
SCHEMBL22277456 0.90 SMN1; SMN2 (0.35) SMN1; SMN2HPGDALDH1A1LMNAGLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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