SCHEMBL8469874

SCHEMBL8469874

O=C(O)C1(c2ccccc2)C=CC=CC1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSD11B1 P28845 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20378032 0.86 ALDH1A1 (0.33) LMNAHTTCYP3A4HSD11B1MEN1
SCHEMBL9223000 0.82 SLC18A3 (0.38) LMNAHSD11B1TDP1MAPTKMT2A
SCHEMBL9142790 0.81 HSD11B1 (0.35) AKR1C1LMNAHTTHSD11B1THRB
Hydrochloric Acid SCHEMBL28568646 0.81 HSD11B1 (0.35) AKR1C1LMNAHTTHSD11B1THRB
SCHEMBL9253524 0.80 THRB (0.36) AKR1C1THRBTDP1MEN1KMT2A
SCHEMBL17707789 0.79 AKR1C1 (0.33) AKR1C1LMNAHTTHSD11B1THRB
SCHEMBL27621152 0.78 LMNA (0.33) AKR1C1LMNAHTTCYP3A4HSD11B1
SCHEMBL3262268 0.77 AKR1C1 (0.32) AKR1C1LMNAHTTSMN1; SMN2
SCHEMBL7546042 0.76 P2RX1 (0.32) AKR1C1
SCHEMBL29963909 0.73 HSD11B1 (0.33) HSD11B1

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-5942365-A CHARGE ADJUVANT OF ALUMINUM SALT OF AN ACID; SMEARING, LOSS OF RESOLUTION AND LOSS OF DENSITY ELIMINATED OR MINIMIZED XEROX CORPORATION (US) 1999-08-24 US claimed
US-5942365-A CHARGE ADJUVANT OF ALUMINUM SALT OF AN ACID; SMEARING, LOSS OF RESOLUTION AND LOSS OF DENSITY ELIMINATED OR MINIMIZED XEROX CORPORATION (US) 1999-08-24 US disclosed
US-5672457-A MELT MIXING THERMOPLASTIC RESINS WITH CHARGING AGENTS XEROX CORPORATION (US) 1997-09-30 US disclosed