SCHEMBL11408469

SCHEMBL11408469

CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.50
▸ MAPT P10636 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 5/20 0.48
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ PRSS1 P07477 2/20 0.41
▸ ACR P10323 2/20 0.41

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
SCHEMBL12736708 1.00 CYP2C9 (0.50) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11412019 0.99 CYP2C9 (0.49) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11418260 0.99 CYP2C9 (0.49) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11411014 0.99 CYP2C9 (0.49) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL11408041 0.96 CYP2C9 (0.51) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10972576 0.93 CYP2C9 (0.59) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10972575 0.93 CYP2C9 (0.59) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL10972573 0.93 CYP2C9 (0.59) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL21482740 0.92 MGLL (0.52) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL12736720 0.92 CYP2C9 (0.60) CYP2C9MAPTSMN1; SMN2ALDH1A1LMNA

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-4229315-A FOR DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-10-21 — — US disclosed
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