SCHEMBL9515865

SCHEMBL9515865

CCN(CC)c1ccccc1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.52
TDP1 Q9NUW8 1/20 0.46
AR P10275 1/20 0.42
PTGS2 P35354 2/20 0.42
BCAT2 O15382 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
CXCL8 P10145 4/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
TPH1 P17752 1/20 0.39
CYP19A1 P11511 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL28385334 0.85 L3MBTL1 (0.44) AKR1B1ARMEN1NPC1RAB9A
SCHEMBL2558366 0.81 AKR1B1 (0.55) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL8950915 0.80 AKR1B1 (0.50) AKR1B1TDP1PTGS2BCAT2MEN1
SCHEMBL462452 0.80 AR (0.49) ARMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL5510044 0.78 AR (0.47) ARMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL31500442 0.78 AR (0.47) ARMEN1NPC1RAB9AKMT2A
SCHEMBL11112921 0.78 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL5317695 0.76 AR (0.46) ARMEN1NPC1RAB9AKMT2A
SCHEMBL7674635 0.76 AR (0.46) ARMEN1NPC1RAB9AKMT2A
SCHEMBL1241839 0.76 AR (0.53) TDP1ARMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0361408-B1 Improved bone cement WOLLF & KAABER AS (DK) 1993-11-24 EP claimed
WO-1990003193-A1 BONE CEMENT WOLFF & KAABER A/S (DK) 1990-04-05 WO claimed
EP-0361408-A2 Improved bone cement Wolff & Kaaber A/S (DK) 1990-04-04 EP claimed
US-4910259-A Acrylated polymer WOLFF & KAABER A/S (DK) 1990-03-20 US claimed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed
US-4486179-A ESTERS OF SYRINGIC ACID AS ANTICARIES AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-12-04 US disclosed