SCHEMBL18409016

SCHEMBL18409016

COc1ccc(C(=O)Oc2ccc(OC(=O)[C@H]3CC[C@@H](O)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 6/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ ACR P10323 1/20 0.49
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.46

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
SCHEMBL18409018 1.00 ELANE (0.52) ELANESMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL12786949 1.00 ELANE (0.52) ELANESMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL14817250 0.91 KMT2A (0.59) ELANESMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL19431405 0.89 ELANE (0.56) ELANESMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL19431398 0.89 ELANE (0.56) ELANESMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL20852356 0.87 ELANE (0.51) ELANESMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL14817288 0.87 ELANE (0.54) ELANESMN1; SMN2KMT2AHTTTDP1
SCHEMBL26866501 0.87 ELANE (0.61) ELANESMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL14817281 0.87 ELANE (0.54) ELANESMN1; SMN2KMT2AHTTTDP1
SCHEMBL20105036 0.85 ELANE (0.49) ELANESMN1; SMN2LMNACYP1A2CYP2C9

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-20170022417-A1 COMPOSITION, OPTICAL FILM INCLUDING COMPOSITION, AND METHOD OF PRODUCING OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-26 — — US disclosed
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