SCHEMBL23893631

SCHEMBL23893631

C=CC(=O)OC(C)(C)CC(C)Oc1ccc2cc(-c3ccccc3)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HIF1A Q16665 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL23395514 0.88 CYP3A4 (0.35) MAPTMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL23893404 0.86 MAPT (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23395493 0.85 SRD5A1 (0.32) KLK7KDM4EHPGDALDH1A1HTT
SCHEMBL23395676 0.85 HDAC6 (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23893464 0.83 KLK7 (0.42) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23395667 0.82 KLK7 (0.44) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23395530 0.82 HDAC6 (0.40) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL23893526 0.82 MEN1 (0.45) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25897947 0.82 KLK7 (0.41) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25896587 0.81 CYP1A2 (0.33) CYP3A4CYP2C9CYP2C19

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
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 — — EP disclosed
Send feedback