SCHEMBL9466635

SCHEMBL9466635

C=CCC(c1ccc(C(=O)Oc2ccc(Cl)cc2)cc1)[C@H]1CC[C@H](CCCCC)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCR6 P51684 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL9465854 0.92 MAPT (0.40) LSSSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9465980 0.91 CYP2C9 (0.37) LSSSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9465609 0.91 CTSK (0.37) LSSSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9465266 0.90 THRB (0.41) SMN1; SMN2MEN1KMT2ANPC1LMNA
SCHEMBL9466115 0.90 THRB (0.46) SMN1; SMN2MEN1KMT2ANPC1LMNA
SCHEMBL9465202 0.90 HDAC3 (0.38) LSSSMN1; SMN2NPC1LMNACYP1A2
SCHEMBL9465392 0.88 TDP1 (0.34) LSSSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9467383 0.88 MGLL (0.39) LSSSMN1; SMN2KMT2ANPC1LMNA
SCHEMBL9167118 0.86 SLC6A2 (0.42) LMNASLC6A2SLC6A4SLC6A3
SCHEMBL9466004 0.84 HTT (0.36) LSSSMN1; SMN2MEN1KMT2ACYP1A2

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-5204018-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-04-20 US disclosed