SCHEMBL7149891

SCHEMBL7149891

CCC(C)C(=O)OC1CCN(Cc2cc3c(cc2OC)Sc2nccnc2N3COC)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ICAM1 P05362 6/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.32
FAAH O00519 1/20 0.32
CHRM4 P08173 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
SCHEMBL6752121 0.86 ICAM1 (0.35) ALDH1A1POLBTDP1ICAM1KDM4E
SCHEMBL6749892 0.70 ALDH1A1 (0.36) ALDH1A1TDP1KDM4ETSHR
SCHEMBL8522768 0.67 ICAM1 (0.36) ALDH1A1ICAM1KDM4ESMN1; SMN2
SCHEMBL6749346 0.63 HDAC6 (0.37)
SCHEMBL8322460 0.63 ICAM1 (0.40) ICAM1MEN1KMT2A
SCHEMBL6750490 0.63 HDAC6 (0.35) KMT2A
SCHEMBL6747171 0.62 PABPC1 (0.41) ALDH1A1POLBKDM4ESMN1; SMN2MEN1
SCHEMBL6749436 0.61 UBE2M (0.34) ICAM1
SCHEMBL7149128 0.61 HDAC6 (0.38) POLBTDP1ICAM1SMN1; SMN2MEN1
SCHEMBL6747276 0.61 HDAC6 (0.42) ICAM1

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
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed