SCHEMBL14098250

SCHEMBL14098250

O=C(c1ccc2c(c1)CCc1c(O)cc(O)cc1O2)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.40
▸ HSP90AB1 P08238 3/20 0.38
▸ KDM2B Q8NHM5 4/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL7117535 0.80 HSD17B1 (0.41) KDM4EHTTRAB9AMAPTHPGD
SCHEMBL14098262 0.78 RAB9A (0.44) SRD5A2HSP90AB1CNR2ALDH1A1LMNA
SCHEMBL5112413 0.77 ATM (0.45) HSP90AB1HTTALDH1A1MAPTHPGD
SCHEMBL14098249 0.77 SRD5A2 (0.40) SRD5A2KDM2BCNR1CNR2KDM4E
SCHEMBL14098242 0.75 HPGD (0.47) ALDH1A1RAB9AMAPTHPGDNPC1
SCHEMBL14098246 0.74 HSD17B3 (0.45) KDM4EHTTALDH1A1HPGDPDE4B
SCHEMBL14098252 0.73 KDM2B (0.38) SRD5A2KDM2BCNR1CNR2MGLL
SCHEMBL7112263 0.72 AHR (0.39) SRD5A2HTTALDH1A1LMNASMN1; SMN2
SCHEMBL7111884 0.72 MAPKAPK2 (0.35) HSP90AB1CNR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5107101 0.72 AHR (0.39) SRD5A2KDM4EALDH1A1SMN1; SMN2MAPT

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-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 — — US disclosed
US-7410997-B2 Tricyclic fused heterocycle compounds, process for preparing the same and use thereof NIPPON SULSAN KAISHA, LTD. (JP) 2008-08-12 — — US disclosed
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