SCHEMBL9293161

SCHEMBL9293161

COC(=O)CCCCCCCCCCN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.49
CXCR4 P61073 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GLA P06280 1/20 0.41
KAT2B Q92831 1/20 0.40

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
Hydrochloric Acid SCHEMBL18263836 0.98 PAOX (0.47) PAOXCXCR4MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9462599 0.98 PAOX (0.47) PAOXCXCR4MEN1KMT2ATSHR
SCHEMBL31465622 0.98 MEN1 (0.48) PAOXCXCR4MEN1KMT2ATSHR
SCHEMBL7310808 0.93 MEN1 (0.49) PAOXCXCR4MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL28437307 0.92 MEN1 (0.48) PAOXCXCR4MEN1KMT2ATSHR
SCHEMBL6603043 0.86 SMN1; SMN2 (0.56) MEN1KMT2ATSHRHRH2HRH1
Hydrochloric Acid SCHEMBL8480707 0.84 SMN1; SMN2 (0.54) MEN1KMT2ATSHRHRH2HRH1
Hydrochloric Acid SCHEMBL4114140 0.84 SMN1; SMN2 (0.54) MEN1KMT2ATSHRHRH2HRH1
SCHEMBL28390299 0.84 PAOX (0.53) PAOXKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL25540401 0.84 KDM5A (0.45) PAOXMEN1KMT2ATSHRHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318970-A Cyclooxygenase, lipoxygenase inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-06-07 US disclosed
EP-0549797-A1 ISOXAZOLE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICINAL USE THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1993-07-07 EP disclosed
US-5182284-A Antiasthmatic agent, antiallergen, antiinflammatory agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 1993-01-26 US disclosed
EP-0465659-A1 PIPERAZINE COMPOUND, PRODUCTION THEREOF, AND MEDICINAL USE THEREOF TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-15 EP disclosed