SCHEMBL8554892

SCHEMBL8554892

CC(C)c1cc(C(=O)C=COC(=O)c2ccccc2)cc(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HSP90AA1 P07900 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TSHR P16473 1/20 0.39
AKT1 P31749 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
RECQL P46063 2/20 0.37
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MAPT P10636 3/20 0.37
CXCR1 P25024 2/20 0.37
CXCR2 P25025 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL8556080 0.77 TDP1 (0.51) NPC1RAB9AHSP90AA1TSHRAKT1
SCHEMBL27757178 0.73 TSHR (0.50) NPC1RAB9AHSP90AA1TSHRAKT1
SCHEMBL11131452 0.72 LMNA (0.52) TSHRSMN1; SMN2LMNAALDH1A1RECQL
SCHEMBL11418028 0.72 KMT2A (0.57) RAB9ATSHRLMNAALDH1A1MAPT
SCHEMBL28182671 0.72 LMNA (0.61) TSHRAKT1SMN1; SMN2LMNAALDH1A1
SCHEMBL10974429 0.70 TSHR (0.47) NPC1RAB9AHSP90AA1TSHRAKT1
SCHEMBL6253034 0.70 TSHR (0.47) NPC1RAB9APDCD1CD274TSHR
SCHEMBL10974433 0.70 TSHR (0.47) NPC1RAB9AHSP90AA1TSHRAKT1
SCHEMBL14042589 0.70 TSHR (0.57) NPC1RAB9AHSP90AA1TSHRAKT1
SCHEMBL15486166 0.70 RECQL (0.52) NPC1RAB9AHSP90AA1AKT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767146-A Anti-osteopathic composition HOECHST JAPAN LIMITED (JP) 1998-06-16 US disclosed
US-5716995-A TREATING OR PREVENTING BONE DISEASES BY ADMINISTERING PHENOLIC, HETERO- OR NAPHTHYL- DERIVATIVES OF 1-HYDROXY-3-OXO-1-PROPENYL BENZOIC ACID TO PROMOTE OSTEOGENESIS HOECHST JAPAN LIMITED (JP) 1998-02-10 US disclosed
US-5703128-A TREATING OSTEOPOROSIS, BONE FRACTURES HOECHST JAPAN LIMITED (JP) 1997-12-30 US disclosed