SCHEMBL23600905

SCHEMBL23600905

CCc1ccc(OC(=O)OC(C)(C)C2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ F2R P25116 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL1788209 0.79 ELANE (0.64) ELANERAB9APOLBMEN1KMT2A
SCHEMBL13131128 0.77 ELANE (0.39) ELANERAB9APOLBALDH1A1KDM1A
SCHEMBL1792479 0.77 CYP1A2 (0.44) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL13131080 0.76 ELANE (0.39) ELANERAB9APOLBALDH1A1KDM1A
SCHEMBL23382802 0.76 ELANE (0.39) ELANERAB9APOLBMEN1KMT2A
SCHEMBL1789243 0.76 ELANE (0.47) ELANERAB9APOLBKMT2ANPC1
SCHEMBL1789994 0.75 RAB9A (0.43) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL23382801 0.75 ELANE (0.38) ELANERAB9APOLBMEN1KMT2A
SCHEMBL47952 0.75 RAB9A (0.56) ELANERAB9APOLBMEN1KMT2A
SCHEMBL1792860 0.74 CYP1A2 (0.44) ELANERAB9APOLBMEN1KMT2A

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-20210200081-A1 PATTERN FORMATION METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2021-07-01 — — US disclosed
Send feedback