SCHEMBL22277456

SCHEMBL22277456

CCCC1CCC(C(=O)OC2CCC(C3CCC(c4ccc(OCC)c(F)c4F)CC3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ OPRL1 P41146 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ SSTR5 P35346 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
SCHEMBL22277419 0.93 NAAA (0.35) SMN1; SMN2CYP2C9MAPTLMNAHPGD
SCHEMBL14922631 0.93 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1HPGDGLA
SCHEMBL14922394 0.93 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1HPGDGLA
SCHEMBL12032175 0.91 SMN1; SMN2 (0.34) SMN1; SMN2CYP2C9MAPTLMNAALDH1A1
SCHEMBL14922680 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL14922689 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAPTLMNAALDH1A1HPGD
SCHEMBL22277422 0.89 HPGD (0.33) SMN1; SMN2HPGDDRD2GLA
SCHEMBL14922683 0.89 SCN9A (0.38) SMN1; SMN2LMNAALDH1A1HPGDGLA
SCHEMBL14922603 0.89 SCN9A (0.38) SMN1; SMN2LMNAALDH1A1HPGDGLA
SCHEMBL12223619 0.88 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALDH1A1HPGDGLA

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-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 — — US disclosed
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