SCHEMBL9723392

SCHEMBL9723392

Cc1cccc2c1OC(C(=O)O)Oc1ccccc1C21CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
AKR1B1 P15121 1/20 0.37
PKM P14618 1/20 0.34
HDAC4 P56524 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
MGLL Q99685 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CCR5 P51681 1/20 0.31
KCNH2 Q12809 1/20 0.31
CCR2 P41597 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9328737 0.86 KMT2A (0.36) AKR1B1HDAC4ALDH1A1TP53HTT
SCHEMBL9326002 0.86 POLB (0.51) POLBCASP6AKR1B1HTTCYP1A2
SCHEMBL9329017 0.85 AKR1B1 (0.42) POLBCASP6AKR1B1HDAC4
SCHEMBL9723534 0.83 AKR1B1 (0.37) POLBCASP6AKR1B1HDAC4
SCHEMBL9327360 0.81 POLB (0.44) POLBCASP6AKR1B1ALDH1A1LMNA
SCHEMBL9327155 0.79 POLB (0.35) POLBCASP6AKR1B1PKMALDH1A1
SCHEMBL1292158 0.79 POLB (0.49) POLBCASP6PKMSIRT1ALDH1A1
SCHEMBL9751997 0.75 POLB (0.43) POLBCASP6SIRT1ALDH1A1LMNA
SCHEMBL9327296 0.74 CYP1A2 (0.38) PKMALDH1A1HTTCYP1A2CYP2C9
SCHEMBL9327109 0.74 POLB (0.55) POLBCASP6AKR1B1HTTCYP2C9

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-5158597-A Herbicidal 12-substituted 12H-dibenzo[d,g]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1992-10-27 US claimed
US-4938790-A Herbicidal 12-substituted 12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-07-03 US claimed