SCHEMBL8956804

SCHEMBL8956804

CCCC[C@H](C)COC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OC[C@@H](C)CCCC)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 5/20 0.53
LMNA P02545 4/20 0.53
CYP3A4 P08684 3/20 0.53
HSD17B10 Q99714 1/20 0.53
TSHR P16473 4/20 0.50
MAPK1 P28482 2/20 0.50
ESR1 P03372 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC1A5 Q15758 1/20 0.47
CYP2C9 P11712 1/20 0.46
PDE4D Q08499 1/20 0.46
CA2 P00918 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7864534 0.95 MAPT (0.61) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL5373240 0.90 MAPT (0.59) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL8956968 0.90 MAPT (0.59) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL28411160 0.89 MAPT (0.58) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL9340880 0.89 ESR1 (0.55) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL9340873 0.89 ESR1 (0.55) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL28875159 0.88 MAPT (0.56) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL26185708 0.85 MAPT (0.65) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL8956949 0.84 LMNA (0.53) MAPTALDH1A1LMNACYP3A4HSD17B10
SCHEMBL9493539 0.83 MAPT (0.78) MAPTALDH1A1LMNACYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486310-A Liquid crystalline mixtures having a chiral tilted smectic phase HOFFMANN-LA ROCHE INC. (US) 1996-01-23 US disclosed
EP-0339414-B1 Optically active diester HOFFMANN LA ROCHE (CH) 1993-12-01 EP disclosed
US-5242619-A Liquid crystalline mixtures having a chiral tilted smectic phase HOFFMANN-LA ROCHE INC. (US) 1993-09-07 US disclosed