SCHEMBL20224609

SCHEMBL20224609

CCC(C)(CC(C)(CC(C)(CC(C)(CC(C)(C)c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SRD5A2 P31213 2/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RARB P10826 1/20 0.42
▸ RARG P13631 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NR1H4 Q96RI1 3/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ RXRG P48443 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1261173 0.84 MEN1 (0.59) MEN1CYP1A2KMT2ASRD5A2RARB
SCHEMBL444583 0.81 MEN1 (0.59) MEN1CYP1A2KMT2ASRD5A2NPC1
SCHEMBL448814 0.79 SHBG (0.59) MEN1CYP1A2KMT2ASRD5A2POLB
SCHEMBL20043034 0.77 SRD5A2 (0.49) MEN1CYP1A2KMT2ASRD5A2RARB
SCHEMBL19322103 0.75 ALOX15 (0.61) MEN1CYP1A2KMT2ASRD5A2NPC1
SCHEMBL5177528 0.74 SRD5A2 (0.53) MEN1CYP1A2KMT2ASRD5A2NPC1
SCHEMBL11697929 0.73 MEN1 (0.59) MEN1CYP1A2KMT2ASRD5A2RARB
SCHEMBL9578939 0.73 MEN1 (0.59) MEN1CYP1A2KMT2ASRD5A2RARB
SCHEMBL9653084 0.73 SRD5A2 (0.57) MEN1CYP1A2KMT2ASRD5A2RARB
SCHEMBL22459300 0.73 SRD5A2 (0.47) MEN1CYP1A2KMT2ASRD5A2NPC1

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-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 — — US disclosed
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