SCHEMBL9878128

SCHEMBL9878128

C=CCCOc1ccc(OC(=O)c2ccc(-c3ccc(CC(C)CC)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ THRB P10828 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ PPARD Q03181 6/20 0.41
▸ PPARA Q07869 6/20 0.41
▸ PPARG P37231 5/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL9878125 1.00 MAPT (0.46) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878636 0.95 ALDH1A1 (0.49) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878651 0.95 ALDH1A1 (0.49) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878260 0.94 ALDH1A1 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878257 0.94 ALDH1A1 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878171 0.93 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878177 0.93 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878516 0.93 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9878647 0.93 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1
SCHEMBL9879327 0.93 SMN1; SMN2 (0.45) MAPTSMN1; SMN2KMT2ATHRBALDH1A1

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-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 — — US disclosed
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