SCHEMBL21183147

SCHEMBL21183147

CCCCC1(CCCC)c2cc(C(=O)C(=O)OCOCC(C)(C)C)ccc2-c2ccc(C(=O)c3cccs3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.42
▸ HPGD P15428 6/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ PTGS1 P23219 3/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ HTT P42858 2/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21024711 0.88 PDK2 (0.42) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL21024707 0.79 PDK2 (0.44) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL21024782 0.73 PDK2 (0.61) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL21025034 0.72 PDK2 (0.47) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL16477970 0.72 PDK2 (0.46) PDK2HPGDNPC1RAB9ATSHR
SCHEMBL21024688 0.71 PDK2 (0.34) PDK2HPGDALDH1A1
SCHEMBL21024775 0.70 PDK2 (0.35) PDK2HPGDNPC1TSHRHTT
SCHEMBL21183150 0.69 PDK2 (0.34) PDK2HPGDNPC1TSHRMAPT
SCHEMBL21183191 0.69 PDK2 (0.34) PDK2HPGDTSHRALDH1A1TP53
SCHEMBL16477978 0.67 PDK2 (0.41) PDK2HPGDNPC1RAB9ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514135-B1 FLUORENE PHOTOINITIATOR, PREPARATION METHOD THEREFOR, PHOTOCURABLE COMPOSITION HAVING SAME, AND USE OF SAME IN PHOTOCURING FIELD CHANGZHOU TRONLY ADVANCED ELECTRONIC MAT CO LTD (CN) 2021-04-21 — — EP disclosed
EP-3514135-A1 FLUORENE PHOTOINITIATOR, PREPARATION METHOD THEREFOR, PHOTOCURABLE COMPOSITION HAVING SAME, AND USE OF SAME IN PHOTOCURING FIELD Changzhou Tronly Advanced Electronic Materials Co., Ltd. (CN) 2019-07-24 — — EP disclosed
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