SCHEMBL7606777

SCHEMBL7606777

Cc1c(CCc2ccc3c(c2C)Cc2ccccc2-3)ccc2c1Cc1ccccc1-2.[Zr]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
PGR P06401 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.35

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 SCHEMBL5352778 0.95 PNMT (0.47) PNMTPGRNPC1RAB9ACA1
Hydrochloric Acid SCHEMBL5352139 0.95 PNMT (0.47) PNMTPGRNPC1RAB9ACA1
SCHEMBL7605038 0.89 PNMT (0.43) PNMTPGRNPC1RAB9ACA1
SCHEMBL8857192 0.87 PNMT (0.44) PNMTPGRNPC1RAB9ACA1
SCHEMBL27353946 0.86 PNMT (0.49) PNMTPGRNPC1RAB9ACA1
Hydrochloric Acid SCHEMBL6557715 0.85 PNMT (0.47) PNMTPGRNPC1RAB9ACA1
Hydrochloric Acid SCHEMBL5366069 0.84 PNMT (0.42) PNMTPGRNPC1RAB9ACA1
SCHEMBL7348044 0.81 PNMT (0.44) PNMTPGRNPC1RAB9ACA1
SCHEMBL11680112 0.80 AKR1B1 (0.48) PNMTPGRNPC1RAB9AALDH1A1
SCHEMBL29413832 0.80 PNMT (0.47) PNMTPGRNPC1RAB9ACA1

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
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed